# generated using pymatgen data_TiSb3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.95649606 _cell_length_b 8.95649606 _cell_length_c 8.95649604 _cell_angle_alpha 58.25223695 _cell_angle_beta 58.25223695 _cell_angle_gamma 58.25223772 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSb3(PO4)6 _chemical_formula_sum 'Ti1 Sb3 P6 O24' _cell_volume 487.70147451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 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 Ti Ti0 1 0.85924300 0.85924300 0.85924300 1.0 Sb Sb1 1 0.14292700 0.14292700 0.14292700 1.0 Sb Sb2 1 0.35726600 0.35726600 0.35726600 1.0 Sb Sb3 1 0.64436400 0.64436400 0.64436400 1.0 P P4 1 0.46611600 0.75001500 0.03805300 1.0 P P5 1 0.75001500 0.03805300 0.46611600 1.0 P P6 1 0.03805300 0.46611600 0.75001500 1.0 P P7 1 0.96139300 0.54011700 0.24835200 1.0 P P8 1 0.24835200 0.96139300 0.54011700 1.0 P P9 1 0.54011700 0.24835200 0.96139300 1.0 O O10 1 0.51469500 0.27466600 0.13339100 1.0 O O11 1 0.13339100 0.51469500 0.27466600 1.0 O O12 1 0.28190300 0.91886200 0.06360000 1.0 O O13 1 0.27466600 0.13339100 0.51469500 1.0 O O14 1 0.44259200 0.57531300 0.21907100 1.0 O O15 1 0.63520000 0.78099300 0.00228000 1.0 O O16 1 0.91886200 0.06360000 0.28190300 1.0 O O17 1 0.57531300 0.21907100 0.44259200 1.0 O O18 1 0.21907100 0.44259200 0.57531300 1.0 O O19 1 0.98593300 0.36700400 0.22768300 1.0 O O20 1 0.93649800 0.71416600 0.07550200 1.0 O O21 1 0.22768300 0.98593300 0.36700400 1.0 O O22 1 0.78099300 0.00228000 0.63520000 1.0 O O23 1 0.06360000 0.28190300 0.91886200 1.0 O O24 1 0.00228000 0.63520000 0.78099300 1.0 O O25 1 0.78310800 0.56080200 0.42213800 1.0 O O26 1 0.42213800 0.78310800 0.56080200 1.0 O O27 1 0.07550200 0.93649800 0.71416600 1.0 O O28 1 0.36700400 0.22768300 0.98593300 1.0 O O29 1 0.56080200 0.42213800 0.78310800 1.0 O O30 1 0.72259800 0.87266300 0.48149400 1.0 O O31 1 0.71416600 0.07550200 0.93649800 1.0 O O32 1 0.87266300 0.48149400 0.72259800 1.0 O O33 1 0.48149400 0.72259800 0.87266300 1.0