# generated using pymatgen data_VCr2Fe3(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49874538 _cell_length_b 8.72988366 _cell_length_c 8.72988349 _cell_angle_alpha 59.99999944 _cell_angle_beta 59.09619436 _cell_angle_gamma 59.09618965 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCr2Fe3(PO4)6 _chemical_formula_sum 'V1 Cr2 Fe3 P6 O24' _cell_volume 451.63407706 _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 V V0 1 0.56884500 0.14371900 0.14371900 1.0 Cr Cr1 1 0.00018000 0.99994000 0.99994000 1.0 Cr Cr2 1 0.50109600 0.49963400 0.49963400 1.0 Fe Fe3 1 0.06187700 0.64604100 0.64604100 1.0 Fe Fe4 1 0.43704400 0.85431800 0.85431800 1.0 Fe Fe5 1 0.93930300 0.35356600 0.35356600 1.0 P P6 1 0.25044300 0.25052500 0.54671200 1.0 P P7 1 0.25044300 0.95232000 0.25052500 1.0 P P8 1 0.25044300 0.54671200 0.95232000 1.0 P P9 1 0.74808700 0.45339800 0.04883500 1.0 P P10 1 0.74808700 0.04883500 0.74968000 1.0 P P11 1 0.74808700 0.74968000 0.45339800 1.0 O O12 1 0.06602800 0.10440900 0.32663400 1.0 O O13 1 0.06602800 0.50293000 0.10440900 1.0 O O14 1 0.06602800 0.32663400 0.50293000 1.0 O O15 1 0.21844200 0.09539100 0.74763300 1.0 O O16 1 0.43484400 0.17639400 0.39036700 1.0 O O17 1 0.28602800 0.40447800 0.55882100 1.0 O O18 1 0.21844200 0.93853300 0.09539100 1.0 O O19 1 0.28602800 0.75067300 0.40447800 1.0 O O20 1 0.56357000 0.60586200 0.00570000 1.0 O O21 1 0.28602800 0.55882100 0.75067300 1.0 O O22 1 0.77901100 0.25069800 0.06520400 1.0 O O23 1 0.56357000 0.00570000 0.82486800 1.0 O O24 1 0.43484400 0.99839500 0.17639400 1.0 O O25 1 0.21844200 0.74763300 0.93853300 1.0 O O26 1 0.71684800 0.43777400 0.25017800 1.0 O O27 1 0.43484400 0.39036700 0.99839500 1.0 O O28 1 0.71684800 0.25017800 0.59520100 1.0 O O29 1 0.77901100 0.06520400 0.90508700 1.0 O O30 1 0.71684800 0.59520100 0.43777400 1.0 O O31 1 0.56357000 0.82486800 0.60586200 1.0 O O32 1 0.77901100 0.90508700 0.25069800 1.0 O O33 1 0.93391700 0.67949500 0.49294100 1.0 O O34 1 0.93391700 0.49294100 0.89364700 1.0 O O35 1 0.93391700 0.89364700 0.67949500 1.0