# generated using pymatgen data_TiCr(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77392956 _cell_length_b 8.77392956 _cell_length_c 8.77392939 _cell_angle_alpha 58.84073487 _cell_angle_beta 58.84073487 _cell_angle_gamma 58.84073558 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCr(PO4)3 _chemical_formula_sum 'Ti2 Cr2 P6 O24' _cell_volume 464.96229280 _cell_formula_units_Z 2 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 0.86063700 0.86063700 0.86063700 1.0 Ti Ti1 1 0.36063700 0.36063700 0.36063700 1.0 Cr Cr2 1 0.64237000 0.64237000 0.64237000 1.0 Cr Cr3 1 0.14237000 0.14237000 0.14237000 1.0 P P4 1 0.25741300 0.96432900 0.52894600 1.0 P P5 1 0.96432900 0.52894600 0.25741300 1.0 P P6 1 0.52894600 0.25741300 0.96432900 1.0 P P7 1 0.46432900 0.75741300 0.02894600 1.0 P P8 1 0.02894600 0.46432900 0.75741300 1.0 P P9 1 0.75741300 0.02894600 0.46432900 1.0 O O10 1 0.72309900 0.85950800 0.49204600 1.0 O O11 1 0.49204600 0.72309900 0.85950800 1.0 O O12 1 0.08500900 0.93515600 0.71097300 1.0 O O13 1 0.85950800 0.49204600 0.72309900 1.0 O O14 1 0.22309900 0.99204600 0.35950800 1.0 O O15 1 0.42875800 0.78076900 0.55516600 1.0 O O16 1 0.93515600 0.71097300 0.08500900 1.0 O O17 1 0.78076900 0.55516600 0.42875800 1.0 O O18 1 0.63393600 0.79243800 0.99770500 1.0 O O19 1 0.55516600 0.42875800 0.78076900 1.0 O O20 1 0.28076900 0.92875800 0.05516600 1.0 O O21 1 0.99770500 0.63393600 0.79243800 1.0 O O22 1 0.99204600 0.35950800 0.22309900 1.0 O O23 1 0.71097300 0.08500900 0.93515600 1.0 O O24 1 0.43515600 0.58500900 0.21097300 1.0 O O25 1 0.35950800 0.22309900 0.99204600 1.0 O O26 1 0.21097300 0.43515600 0.58500900 1.0 O O27 1 0.05516600 0.28076900 0.92875800 1.0 O O28 1 0.58500900 0.21097300 0.43515600 1.0 O O29 1 0.79243800 0.99770500 0.63393600 1.0 O O30 1 0.13393600 0.49770500 0.29243800 1.0 O O31 1 0.92875800 0.05516600 0.28076900 1.0 O O32 1 0.49770500 0.29243800 0.13393600 1.0 O O33 1 0.29243800 0.13393600 0.49770500 1.0