# generated using pymatgen data_VFe3Cu2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55712052 _cell_length_b 8.55712052 _cell_length_c 8.55712011 _cell_angle_alpha 60.36236247 _cell_angle_beta 60.36236247 _cell_angle_gamma 60.36236307 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe3Cu2(PO4)6 _chemical_formula_sum 'V1 Fe3 Cu2 P6 O24' _cell_volume 446.69716174 _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 0.14342200 0.14342200 0.14342200 1.0 Fe Fe1 1 0.64396700 0.64396700 0.64396700 1.0 Fe Fe2 1 0.85554700 0.85554700 0.85554700 1.0 Fe Fe3 1 0.35633800 0.35633800 0.35633800 1.0 Cu Cu4 1 0.99761900 0.99761900 0.99761900 1.0 Cu Cu5 1 0.49884700 0.49884700 0.49884700 1.0 P P6 1 0.95669100 0.25112800 0.54301500 1.0 P P7 1 0.54301500 0.95669100 0.25112800 1.0 P P8 1 0.25112800 0.54301500 0.95669100 1.0 P P9 1 0.75058900 0.45749000 0.04515300 1.0 P P10 1 0.45749000 0.04515300 0.75058900 1.0 P P11 1 0.04515300 0.75058900 0.45749000 1.0 O O12 1 0.50290500 0.11341300 0.31361200 1.0 O O13 1 0.31361100 0.50290500 0.11341300 1.0 O O14 1 0.11341300 0.31361100 0.50290500 1.0 O O15 1 0.94291500 0.08589700 0.73380400 1.0 O O16 1 0.00938600 0.18741800 0.37303500 1.0 O O17 1 0.76243900 0.41326100 0.54652800 1.0 O O18 1 0.73380400 0.94291500 0.08589700 1.0 O O19 1 0.54652800 0.76243900 0.41326100 1.0 O O20 1 0.81321700 0.61389300 0.00692400 1.0 O O21 1 0.41326100 0.54652800 0.76243900 1.0 O O22 1 0.91992400 0.25995300 0.06433700 1.0 O O23 1 0.61389300 0.00692400 0.81321700 1.0 O O24 1 0.37303500 0.00938600 0.18741800 1.0 O O25 1 0.08589700 0.73380400 0.94291500 1.0 O O26 1 0.58982500 0.43740300 0.24157900 1.0 O O27 1 0.18741800 0.37303500 0.00938600 1.0 O O28 1 0.43740300 0.24157900 0.58982500 1.0 O O29 1 0.25995300 0.06433700 0.91992400 1.0 O O30 1 0.24157900 0.58982500 0.43740300 1.0 O O31 1 0.00692400 0.81321700 0.61389300 1.0 O O32 1 0.06433700 0.91992400 0.25995300 1.0 O O33 1 0.88486300 0.69672500 0.48695200 1.0 O O34 1 0.69672500 0.48695200 0.88486300 1.0 O O35 1 0.48695200 0.88486300 0.69672500 1.0