# generated using pymatgen data_Fe3Cu2Sn(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41117864 _cell_length_b 8.41117812 _cell_length_c 8.41117849 _cell_angle_alpha 61.27722253 _cell_angle_beta 61.27721523 _cell_angle_gamma 61.27721931 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Cu2Sn(PO4)6 _chemical_formula_sum 'Fe3 Cu2 Sn1 P6 O24' _cell_volume 432.86303659 _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 0.14518447 0.14518447 0.14518447 1.0 Fe Fe1 1 0.35475934 0.35475934 0.35475934 1.0 Fe Fe2 1 0.64422324 0.64422324 0.64422324 1.0 Cu Cu3 1 0.00422300 0.00422300 0.00422300 1.0 Cu Cu4 1 0.49924013 0.49924013 0.49924013 1.0 Sn Sn5 1 0.85707291 0.85707291 0.85707291 1.0 P P6 1 0.74785851 0.44954460 0.04967379 1.0 P P7 1 0.04967379 0.74785851 0.44954460 1.0 P P8 1 0.44954460 0.04967379 0.74785851 1.0 P P9 1 0.25434988 0.54256393 0.95189161 1.0 P P10 1 0.54256393 0.95189161 0.25434988 1.0 P P11 1 0.95189161 0.25434988 0.54256393 1.0 O O12 1 0.10689378 0.32424214 0.50063850 1.0 O O13 1 0.32424214 0.50063850 0.10689378 1.0 O O14 1 0.06381486 0.90690366 0.25235467 1.0 O O15 1 0.50063850 0.10689378 0.32424214 1.0 O O16 1 0.01308905 0.81855291 0.60405558 1.0 O O17 1 0.24763188 0.59060208 0.43699460 1.0 O O18 1 0.25235467 0.06381486 0.90690366 1.0 O O19 1 0.43699460 0.24763188 0.59060208 1.0 O O20 1 0.17964089 0.39028135 0.99477651 1.0 O O21 1 0.59060208 0.43699460 0.24763188 1.0 O O22 1 0.09456800 0.74429481 0.94119219 1.0 O O23 1 0.39028135 0.99477651 0.17964089 1.0 O O24 1 0.60405558 0.01308905 0.81855291 1.0 O O25 1 0.90690366 0.25235467 0.06381486 1.0 O O26 1 0.40835841 0.56006886 0.75168538 1.0 O O27 1 0.81855291 0.60405558 0.01308905 1.0 O O28 1 0.56006886 0.75168538 0.40835841 1.0 O O29 1 0.74429481 0.94119219 0.09456800 1.0 O O30 1 0.75168538 0.40835841 0.56006886 1.0 O O31 1 0.99477651 0.17964089 0.39028135 1.0 O O32 1 0.49762552 0.88882599 0.68232397 1.0 O O33 1 0.94119219 0.09456800 0.74429481 1.0 O O34 1 0.68232397 0.49762552 0.88882599 1.0 O O35 1 0.88882599 0.68232397 0.49762552 1.0