# generated using pymatgen data_Fe3Cu2Sb(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62893180 _cell_length_b 8.62893117 _cell_length_c 8.62893122 _cell_angle_alpha 60.11517011 _cell_angle_beta 60.11517252 _cell_angle_gamma 60.11517279 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Cu2Sb(PO4)6 _chemical_formula_sum 'Fe3 Cu2 Sb1 P6 O24' _cell_volume 455.49938294 _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 0.14499800 0.14499800 0.14499800 1.0 Fe Fe1 1 0.35502800 0.35502800 0.35502800 1.0 Fe Fe2 1 0.64358600 0.64358600 0.64358600 1.0 Cu Cu3 1 0.00709400 0.00709400 0.00709400 1.0 Cu Cu4 1 0.49995500 0.49995500 0.49995500 1.0 Sb Sb5 1 0.85703800 0.85703800 0.85703800 1.0 P P6 1 0.04587000 0.74669900 0.45372400 1.0 P P7 1 0.45372400 0.04587000 0.74669900 1.0 P P8 1 0.74669900 0.45372400 0.04587000 1.0 P P9 1 0.25267700 0.53910400 0.95502700 1.0 P P10 1 0.53910400 0.95502700 0.25267700 1.0 P P11 1 0.95502700 0.25267700 0.53910400 1.0 O O12 1 0.11389800 0.30542100 0.50904600 1.0 O O13 1 0.30542100 0.50904600 0.11389800 1.0 O O14 1 0.05963000 0.91325000 0.26353100 1.0 O O15 1 0.50904600 0.11389800 0.30542100 1.0 O O16 1 0.01198000 0.80754100 0.61537800 1.0 O O17 1 0.23884800 0.58422400 0.44390800 1.0 O O18 1 0.26353100 0.05963000 0.91325000 1.0 O O19 1 0.44390800 0.23884800 0.58422400 1.0 O O20 1 0.18645400 0.38612200 0.99336900 1.0 O O21 1 0.58422400 0.44390800 0.23884800 1.0 O O22 1 0.08324600 0.73928200 0.94063000 1.0 O O23 1 0.38612200 0.99336900 0.18645400 1.0 O O24 1 0.61537800 0.01198000 0.80754100 1.0 O O25 1 0.91325000 0.26353100 0.05963000 1.0 O O26 1 0.41152300 0.56072400 0.75905700 1.0 O O27 1 0.80754100 0.61537800 0.01198000 1.0 O O28 1 0.56072400 0.75905700 0.41152300 1.0 O O29 1 0.73928200 0.94063000 0.08324600 1.0 O O30 1 0.75905700 0.41152300 0.56072400 1.0 O O31 1 0.99336900 0.18645400 0.38612200 1.0 O O32 1 0.49884800 0.88427200 0.68902000 1.0 O O33 1 0.94063000 0.08324600 0.73928200 1.0 O O34 1 0.68902000 0.49884800 0.88427200 1.0 O O35 1 0.88427200 0.68902000 0.49884800 1.0