# generated using pymatgen data_Fe2Cu(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50668289 _cell_length_b 8.50668370 _cell_length_c 8.50668298 _cell_angle_alpha 60.86941978 _cell_angle_beta 60.86941619 _cell_angle_gamma 60.86941674 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Cu(PO4)3 _chemical_formula_sum 'Fe4 Cu2 P6 O24' _cell_volume 443.80881949 _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 Fe Fe0 1 0.14433900 0.14433900 0.14433900 1.0 Fe Fe1 1 0.35566100 0.35566100 0.35566100 1.0 Fe Fe2 1 0.64433900 0.64433900 0.64433900 1.0 Fe Fe3 1 0.85566100 0.85566100 0.85566100 1.0 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu5 1 0.50000000 0.50000000 0.50000000 1.0 P P6 1 0.04594400 0.75000000 0.45405600 1.0 P P7 1 0.45405600 0.04594400 0.75000000 1.0 P P8 1 0.75000000 0.45405600 0.04594400 1.0 P P9 1 0.25000000 0.54594400 0.95405600 1.0 P P10 1 0.54594400 0.95405600 0.25000000 1.0 P P11 1 0.95405600 0.25000000 0.54594400 1.0 O O12 1 0.10918400 0.31964100 0.50438600 1.0 O O13 1 0.31964100 0.50438600 0.10918400 1.0 O O14 1 0.05986600 0.91039800 0.25492900 1.0 O O15 1 0.50438600 0.10918400 0.31964100 1.0 O O16 1 0.00438600 0.81964100 0.60918300 1.0 O O17 1 0.24507100 0.58960200 0.44013400 1.0 O O18 1 0.25492900 0.05986600 0.91039800 1.0 O O19 1 0.44013400 0.24507100 0.58960200 1.0 O O20 1 0.18035900 0.39081700 0.99561400 1.0 O O21 1 0.58960200 0.44013400 0.24507100 1.0 O O22 1 0.08960200 0.74507100 0.94013400 1.0 O O23 1 0.39081700 0.99561400 0.18035900 1.0 O O24 1 0.60918300 0.00438600 0.81964100 1.0 O O25 1 0.91039800 0.25492900 0.05986600 1.0 O O26 1 0.41039800 0.55986600 0.75492900 1.0 O O27 1 0.81964100 0.60918300 0.00438600 1.0 O O28 1 0.55986600 0.75492900 0.41039800 1.0 O O29 1 0.74507100 0.94013400 0.08960200 1.0 O O30 1 0.75492900 0.41039800 0.55986600 1.0 O O31 1 0.99561400 0.18035900 0.39081700 1.0 O O32 1 0.49561400 0.89081700 0.68035900 1.0 O O33 1 0.94013400 0.08960200 0.74507100 1.0 O O34 1 0.68035900 0.49561400 0.89081700 1.0 O O35 1 0.89081700 0.68035900 0.49561400 1.0