# generated using pymatgen data_Ti5Cr(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47521192 _cell_length_b 8.47521192 _cell_length_c 8.47521254 _cell_angle_alpha 61.89505494 _cell_angle_beta 61.89505494 _cell_angle_gamma 61.89505687 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Cr(PO4)6 _chemical_formula_sum 'Ti5 Cr1 P6 O24' _cell_volume 448.72414678 _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 0.99718800 0.99718800 0.99718800 1.0 Ti Ti1 1 0.50040600 0.50040600 0.50040600 1.0 Ti Ti2 1 0.85842800 0.85842800 0.85842800 1.0 Ti Ti3 1 0.64119000 0.64119000 0.64119000 1.0 Ti Ti4 1 0.36003800 0.36003800 0.36003800 1.0 Cr Cr5 1 0.14177200 0.14177200 0.14177200 1.0 P P6 1 0.95849800 0.25079300 0.53949200 1.0 P P7 1 0.53949200 0.95849800 0.25079300 1.0 P P8 1 0.75385900 0.45532600 0.04191400 1.0 P P9 1 0.45532600 0.04191400 0.75385900 1.0 P P10 1 0.04191400 0.75385900 0.45532600 1.0 P P11 1 0.25079300 0.53949200 0.95849800 1.0 O O12 1 0.88541700 0.68339300 0.49786500 1.0 O O13 1 0.68339300 0.49786500 0.88541700 1.0 O O14 1 0.94262800 0.09352500 0.73899300 1.0 O O15 1 0.49786500 0.88541700 0.68339300 1.0 O O16 1 0.99244000 0.18528200 0.38500600 1.0 O O17 1 0.75853900 0.40712900 0.55936300 1.0 O O18 1 0.73899300 0.94262800 0.09352500 1.0 O O19 1 0.55936300 0.75853900 0.40712900 1.0 O O20 1 0.82130100 0.61343400 0.00048600 1.0 O O21 1 0.40712900 0.55936300 0.75853900 1.0 O O22 1 0.90856100 0.25632200 0.05657400 1.0 O O23 1 0.61343400 0.00048600 0.82130100 1.0 O O24 1 0.38500600 0.99244000 0.18528200 1.0 O O25 1 0.09352500 0.73899300 0.94262800 1.0 O O26 1 0.59671500 0.44218400 0.24030000 1.0 O O27 1 0.18528200 0.38500600 0.99244000 1.0 O O28 1 0.44218400 0.24030000 0.59671500 1.0 O O29 1 0.25632200 0.05657400 0.90856100 1.0 O O30 1 0.24030000 0.59671500 0.44218400 1.0 O O31 1 0.00048600 0.82130100 0.61343400 1.0 O O32 1 0.50162100 0.11412900 0.31989100 1.0 O O33 1 0.05657400 0.90856100 0.25632200 1.0 O O34 1 0.31989100 0.50162100 0.11412900 1.0 O O35 1 0.11412900 0.31989100 0.50162100 1.0