# generated using pymatgen data_Li52.00032La24Y6Nb10O96 _symmetry_space_group_name_H-M Ia-3d _cell_length_a 12.94880000 _cell_length_b 12.94880000 _cell_length_c 12.94880000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 230 _chemical_formula_structural Li52.00032La24Y6Nb10O96 _chemical_formula_sum 'Li52.00032 La24 Y6 Nb10 O96' _cell_volume 2171.14370194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, -y, -z' 3 '-y+1/4, x+3/4, z+1/4' 4 'y+1/4, -x+3/4, -z+1/4' 5 '-x+1/2, -y, z+1/2' 6 'x+1/2, y, -z+1/2' 7 'y+1/4, -x+1/4, z+3/4' 8 '-y+1/4, x+1/4, -z+3/4' 9 'x, -y, -z+1/2' 10 '-x, y, z+1/2' 11 '-y+1/4, -x+1/4, -z+1/4' 12 'y+1/4, x+1/4, z+1/4' 13 '-x+1/2, y, -z' 14 'x+1/2, -y, z' 15 'y+1/4, x+3/4, -z+3/4' 16 '-y+1/4, -x+3/4, z+3/4' 17 'z, x, y' 18 '-z, -x, -y' 19 'z+1/4, -y+1/4, x+3/4' 20 '-z+1/4, y+1/4, -x+3/4' 21 'z+1/2, -x+1/2, -y' 22 '-z+1/2, x+1/2, y' 23 'z+3/4, y+1/4, -x+1/4' 24 '-z+3/4, -y+1/4, x+1/4' 25 '-z+1/2, x, -y' 26 'z+1/2, -x, y' 27 '-z+1/4, -y+1/4, -x+1/4' 28 'z+1/4, y+1/4, x+1/4' 29 '-z, -x+1/2, y' 30 'z, x+1/2, -y' 31 '-z+3/4, y+1/4, x+3/4' 32 'z+3/4, -y+1/4, -x+3/4' 33 'y, z, x' 34 '-y, -z, -x' 35 'x+3/4, z+1/4, -y+1/4' 36 '-x+3/4, -z+1/4, y+1/4' 37 '-y, z+1/2, -x+1/2' 38 'y, -z+1/2, x+1/2' 39 '-x+1/4, z+3/4, y+1/4' 40 'x+1/4, -z+3/4, -y+1/4' 41 '-y, -z+1/2, x' 42 'y, z+1/2, -x' 43 '-x+1/4, -z+1/4, -y+1/4' 44 'x+1/4, z+1/4, y+1/4' 45 'y, -z, -x+1/2' 46 '-y, z, x+1/2' 47 'x+3/4, -z+3/4, y+1/4' 48 '-x+3/4, z+3/4, -y+1/4' 49 'x+1/2, y+1/2, z+1/2' 50 '-x+1/2, -y+1/2, -z+1/2' 51 '-y+3/4, x+1/4, z+3/4' 52 'y+3/4, -x+1/4, -z+3/4' 53 '-x, -y+1/2, z' 54 'x, y+1/2, -z' 55 'y+3/4, -x+3/4, z+1/4' 56 '-y+3/4, x+3/4, -z+1/4' 57 'x+1/2, -y+1/2, -z' 58 '-x+1/2, y+1/2, z' 59 '-y+3/4, -x+3/4, -z+3/4' 60 'y+3/4, x+3/4, z+3/4' 61 '-x, y+1/2, -z+1/2' 62 'x, -y+1/2, z+1/2' 63 'y+3/4, x+1/4, -z+1/4' 64 '-y+3/4, -x+1/4, z+1/4' 65 'z+1/2, x+1/2, y+1/2' 66 '-z+1/2, -x+1/2, -y+1/2' 67 'z+3/4, -y+3/4, x+1/4' 68 '-z+3/4, y+3/4, -x+1/4' 69 'z, -x, -y+1/2' 70 '-z, x, y+1/2' 71 'z+1/4, y+3/4, -x+3/4' 72 '-z+1/4, -y+3/4, x+3/4' 73 '-z, x+1/2, -y+1/2' 74 'z, -x+1/2, y+1/2' 75 '-z+3/4, -y+3/4, -x+3/4' 76 'z+3/4, y+3/4, x+3/4' 77 '-z+1/2, -x, y+1/2' 78 'z+1/2, x, -y+1/2' 79 '-z+1/4, y+3/4, x+1/4' 80 'z+1/4, -y+3/4, -x+1/4' 81 'y+1/2, z+1/2, x+1/2' 82 '-y+1/2, -z+1/2, -x+1/2' 83 'x+1/4, z+3/4, -y+3/4' 84 '-x+1/4, -z+3/4, y+3/4' 85 '-y+1/2, z, -x' 86 'y+1/2, -z, x' 87 '-x+3/4, z+1/4, y+3/4' 88 'x+3/4, -z+1/4, -y+3/4' 89 '-y+1/2, -z, x+1/2' 90 'y+1/2, z, -x+1/2' 91 '-x+3/4, -z+3/4, -y+3/4' 92 'x+3/4, z+3/4, y+3/4' 93 'y+1/2, -z+1/2, -x' 94 '-y+1/2, z+1/2, x' 95 'x+1/4, -z+1/4, y+3/4' 96 '-x+1/4, z+1/4, -y+3/4' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 96 0.06637250 0.07617016 0.81775405 0.27417 Li Li1 48 0.07566184 0.12500000 0.82566184 0.2625 Li Li2 24 0.00000000 0.25000000 0.37500000 0.545 La La3 24 0.00000000 0.25000000 0.12500000 1.0 Nb Nb4 16 0.00000000 0.00000000 0.00000000 0.625 Y Y5 16 0.00000000 0.00000000 0.00000000 0.375 O O6 96 0.05206496 0.06056376 0.62911548 1.0