# generated using pymatgen data_Fe5Cu2(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33495100 _cell_length_b 8.05310266 _cell_length_c 9.45759739 _cell_angle_alpha 105.65737909 _cell_angle_beta 107.44960639 _cell_angle_gamma 101.09698995 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5Cu2(PO4)6 _chemical_formula_sum 'Fe5 Cu2 P6 O24' _cell_volume 423.11950991 _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 0.38403400 0.45343200 0.11639600 1.0 Fe Fe1 1 0.04935400 0.72140500 0.52639300 1.0 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe3 1 0.61596600 0.54656800 0.88360400 1.0 Fe Fe4 1 0.95064600 0.27859500 0.47360700 1.0 Cu Cu5 1 0.73970700 0.19484500 0.72982500 1.0 Cu Cu6 1 0.26029300 0.80515500 0.27017500 1.0 P P7 1 0.39967600 0.22835600 0.36995200 1.0 P P8 1 0.23238600 0.14827600 0.77118300 1.0 P P9 1 0.90598400 0.40665200 0.16898200 1.0 P P10 1 0.76761400 0.85172400 0.22881700 1.0 P P11 1 0.09401600 0.59334800 0.83101800 1.0 P P12 1 0.60032400 0.77164400 0.63004800 1.0 O O13 1 0.12213200 0.53426100 0.16256800 1.0 O O14 1 0.79372600 0.05055700 0.29486500 1.0 O O15 1 0.63666800 0.24271500 0.49059200 1.0 O O16 1 0.24772700 0.27546000 0.46431600 1.0 O O17 1 0.97987000 0.80640000 0.33284800 1.0 O O18 1 0.56160200 0.63971600 0.71776100 1.0 O O19 1 0.87786800 0.46573900 0.83743200 1.0 O O20 1 0.68948400 0.46120300 0.08457900 1.0 O O21 1 0.46243800 0.26277500 0.77140300 1.0 O O22 1 0.76798900 0.79984200 0.05680500 1.0 O O23 1 0.88639700 0.21345600 0.08535400 1.0 O O24 1 0.36333200 0.75728500 0.50940800 1.0 O O25 1 0.93057900 0.45082900 0.34569200 1.0 O O26 1 0.06942100 0.54917100 0.65430800 1.0 O O27 1 0.02013000 0.19360000 0.66715200 1.0 O O28 1 0.53756200 0.73722500 0.22859700 1.0 O O29 1 0.11360300 0.78654400 0.91464600 1.0 O O30 1 0.75227300 0.72454000 0.53568400 1.0 O O31 1 0.43839800 0.36028400 0.28223900 1.0 O O32 1 0.23201100 0.20015800 0.94319500 1.0 O O33 1 0.28068600 0.03586900 0.23874700 1.0 O O34 1 0.31051600 0.53879700 0.91542100 1.0 O O35 1 0.20627400 0.94944300 0.70513500 1.0 O O36 1 0.71931400 0.96413100 0.76125300 1.0