# generated using pymatgen data_Fe3Cu(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85071316 _cell_length_b 9.91898016 _cell_length_c 5.91077300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.97473591 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Cu(PO4)4 _chemical_formula_sum 'Fe3 Cu1 P4 O16' _cell_volume 284.39165898 _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 Fe Fe0 1 0.47109200 0.22696100 0.75000000 1.0 Fe Fe1 1 0.53080300 0.77209600 0.25000000 1.0 Fe Fe2 1 0.96762800 0.27362600 0.25000000 1.0 Cu Cu3 1 0.04466300 0.72376800 0.75000000 1.0 P P4 1 0.08286300 0.59682700 0.25000000 1.0 P P5 1 0.41872800 0.09542000 0.25000000 1.0 P P6 1 0.57673600 0.90153000 0.75000000 1.0 P P7 1 0.91943900 0.40747200 0.75000000 1.0 O O8 1 0.15364000 0.44644700 0.25000000 1.0 O O9 1 0.23357800 0.67182100 0.04934900 1.0 O O10 1 0.23357800 0.67182100 0.45065100 1.0 O O11 1 0.23142100 0.38411300 0.75000000 1.0 O O12 1 0.26216600 0.88814300 0.75000000 1.0 O O13 1 0.27397600 0.17090100 0.04728800 1.0 O O14 1 0.27397600 0.17090100 0.45271200 1.0 O O15 1 0.34536400 0.94565000 0.25000000 1.0 O O16 1 0.65262800 0.05181800 0.75000000 1.0 O O17 1 0.71851600 0.82684800 0.54608400 1.0 O O18 1 0.71851600 0.82684800 0.95391600 1.0 O O19 1 0.73060900 0.11615000 0.25000000 1.0 O O20 1 0.77106100 0.61643900 0.25000000 1.0 O O21 1 0.77499200 0.32937800 0.54769500 1.0 O O22 1 0.77499200 0.32937800 0.95230500 1.0 O O23 1 0.83903400 0.55564200 0.75000000 1.0