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sync: add rawdata/all_randomized_cifs/4p7.cif from GitHub

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  1. rawdata/all_randomized_cifs/4p7.cif +76 -0
rawdata/all_randomized_cifs/4p7.cif ADDED
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+ # generated using pymatgen
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+ data_Li3ClO
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+ _symmetry_space_group_name_H-M Pm-3m
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+ _cell_length_a 3.90833700
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+ _cell_length_b 3.90833700
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+ _cell_length_c 3.90833700
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+ _cell_angle_alpha 90.00000000
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+ _cell_angle_beta 90.00000000
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+ _cell_angle_gamma 90.00000000
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+ _symmetry_Int_Tables_number 221
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+ _chemical_formula_structural Li3ClO
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+ _chemical_formula_sum 'Li3 Cl1 O1'
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+ _cell_volume 59.70023110
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+ _cell_formula_units_Z 1
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+ loop_
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+ _symmetry_equiv_pos_site_id
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+ _symmetry_equiv_pos_as_xyz
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+ 1 'x, y, z'
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+ 2 '-x, -y, -z'
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+ 3 '-y, x, z'
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+ 4 'y, -x, -z'
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+ 5 '-x, -y, z'
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+ 6 'x, y, -z'
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+ 7 'y, -x, z'
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+ 8 '-y, x, -z'
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+ 9 'x, -y, -z'
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+ 10 '-x, y, z'
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+ 11 '-y, -x, -z'
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+ 12 'y, x, z'
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+ 13 '-x, y, -z'
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+ 14 'x, -y, z'
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+ 15 'y, x, -z'
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+ 16 '-y, -x, z'
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+ 17 'z, x, y'
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+ 18 '-z, -x, -y'
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+ 19 'z, -y, x'
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+ 20 '-z, y, -x'
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+ 21 'z, -x, -y'
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+ 22 '-z, x, y'
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+ 23 'z, y, -x'
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+ 24 '-z, -y, x'
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+ 25 '-z, x, -y'
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+ 26 'z, -x, y'
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+ 27 '-z, -y, -x'
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+ 28 'z, y, x'
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+ 29 '-z, -x, y'
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+ 30 'z, x, -y'
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+ 31 '-z, y, x'
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+ 32 'z, -y, -x'
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+ 33 'y, z, x'
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+ 34 '-y, -z, -x'
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+ 35 'x, z, -y'
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+ 36 '-x, -z, y'
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+ 37 '-y, z, -x'
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+ 38 'y, -z, x'
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+ 39 '-x, z, y'
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+ 40 'x, -z, -y'
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+ 41 '-y, -z, x'
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+ 42 'y, z, -x'
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+ 43 '-x, -z, -y'
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+ 44 'x, z, y'
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+ 45 'y, -z, -x'
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+ 46 '-y, z, x'
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+ 47 'x, -z, y'
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+ 48 '-x, z, -y'
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+ loop_
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+ _atom_site_type_symbol
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+ _atom_site_label
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+ _atom_site_symmetry_multiplicity
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+ _atom_site_fract_x
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+ _atom_site_fract_y
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+ _atom_site_fract_z
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+ _atom_site_occupancy
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+ Li Li0 3 0.00000000 0.50000000 0.50000000 1
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+ Cl Cl1 1 0.00000000 0.00000000 0.00000000 1
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+ O O2 1 0.50000000 0.50000000 0.50000000 1
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