# generated using pymatgen data_Ti3VCr2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72539642 _cell_length_b 8.72539642 _cell_length_c 8.72539640 _cell_angle_alpha 59.35461433 _cell_angle_beta 59.35461433 _cell_angle_gamma 59.35461253 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3VCr2(PO4)6 _chemical_formula_sum 'Ti3 V1 Cr2 P6 O24' _cell_volume 462.82103314 _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 0.35509700 0.35509700 0.35509700 1.0 Ti Ti1 1 0.14522000 0.14522000 0.14522000 1.0 Ti Ti2 1 0.64597500 0.64597500 0.64597500 1.0 V V3 1 0.85686000 0.85686000 0.85686000 1.0 Cr Cr4 1 0.00001400 0.00001400 0.00001400 1.0 Cr Cr5 1 0.49969900 0.49969900 0.49969900 1.0 P P6 1 0.75078900 0.04220100 0.45733000 1.0 P P7 1 0.04220100 0.45733000 0.75078900 1.0 P P8 1 0.45733000 0.75078900 0.04220100 1.0 P P9 1 0.54288200 0.25016500 0.95863300 1.0 P P10 1 0.95863300 0.54288200 0.25016500 1.0 P P11 1 0.25016500 0.95863300 0.54288200 1.0 O O12 1 0.87706100 0.50020200 0.69516000 1.0 O O13 1 0.50020200 0.69516000 0.87706100 1.0 O O14 1 0.69516000 0.87706100 0.50020200 1.0 O O15 1 0.91606600 0.05826500 0.26292900 1.0 O O16 1 0.80301500 0.01006100 0.61360200 1.0 O O17 1 0.58245200 0.23332100 0.43374000 1.0 O O18 1 0.05826500 0.26292900 0.91606600 1.0 O O19 1 0.23332100 0.43374000 0.58245200 1.0 O O20 1 0.37822300 0.19468000 0.00142400 1.0 O O21 1 0.43374000 0.58245200 0.23332100 1.0 O O22 1 0.73349300 0.08789700 0.94494300 1.0 O O23 1 0.00142400 0.37822300 0.19468000 1.0 O O24 1 0.01006100 0.61360200 0.80301500 1.0 O O25 1 0.26292900 0.91606600 0.05826500 1.0 O O26 1 0.55660600 0.41845600 0.76794900 1.0 O O27 1 0.61360200 0.80301500 0.01006100 1.0 O O28 1 0.76794900 0.55660600 0.41845600 1.0 O O29 1 0.94494300 0.73349300 0.08789700 1.0 O O30 1 0.41845600 0.76794900 0.55660600 1.0 O O31 1 0.19468000 0.00142400 0.37822300 1.0 O O32 1 0.08789700 0.94494300 0.73349300 1.0 O O33 1 0.30837700 0.12188900 0.49533800 1.0 O O34 1 0.49533800 0.30837700 0.12188900 1.0 O O35 1 0.12188900 0.49533800 0.30837700 1.0