# generated using pymatgen data_Fe3(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13352400 _cell_length_b 8.53657500 _cell_length_c 15.73628963 _cell_angle_alpha 66.79013191 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3(PO4)4 _chemical_formula_sum 'Fe6 P8 O32' _cell_volume 633.79527198 _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 0.90715000 0.82321900 0.19701900 1.0 Fe Fe1 1 0.59285000 0.82321900 0.69701900 1.0 Fe Fe2 1 0.40715000 0.17678100 0.30298100 1.0 Fe Fe3 1 0.09285000 0.17678100 0.80298100 1.0 Fe Fe4 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe5 1 0.50000000 0.50000000 0.00000000 1.0 P P6 1 0.44052600 0.07836700 0.11571200 1.0 P P7 1 0.00388000 0.47536900 0.14779600 1.0 P P8 1 0.05947400 0.07836700 0.61571200 1.0 P P9 1 0.99612000 0.52463100 0.85220400 1.0 P P10 1 0.49612000 0.47536900 0.64779600 1.0 P P11 1 0.94052600 0.92163300 0.38428800 1.0 P P12 1 0.55947400 0.92163300 0.88428800 1.0 P P13 1 0.50388000 0.52463100 0.35220400 1.0 O O14 1 0.43168100 0.25101700 0.03286200 1.0 O O15 1 0.93168100 0.74898300 0.46713800 1.0 O O16 1 0.72112300 0.44930300 0.12221700 1.0 O O17 1 0.22112300 0.55069700 0.37778300 1.0 O O18 1 0.80853000 0.02463100 0.88058100 1.0 O O19 1 0.69147000 0.02463100 0.38058100 1.0 O O20 1 0.81733200 0.48661300 0.93654400 1.0 O O21 1 0.40127000 0.31408300 0.72906900 1.0 O O22 1 0.52346800 0.36972800 0.32475900 1.0 O O23 1 0.06831900 0.25101700 0.53286200 1.0 O O24 1 0.56831900 0.74898300 0.96713800 1.0 O O25 1 0.59873000 0.68591700 0.27093100 1.0 O O26 1 0.31733200 0.51338700 0.56345600 1.0 O O27 1 0.02346800 0.63027200 0.17524100 1.0 O O28 1 0.68266800 0.48661300 0.43654400 1.0 O O29 1 0.09873000 0.31408300 0.22906900 1.0 O O30 1 0.90127000 0.68591700 0.77093100 1.0 O O31 1 0.18266800 0.51338700 0.06345600 1.0 O O32 1 0.83057000 0.97035900 0.60278600 1.0 O O33 1 0.66943000 0.97035900 0.10278600 1.0 O O34 1 0.47653200 0.63027200 0.67524100 1.0 O O35 1 0.30853000 0.97536900 0.61941900 1.0 O O36 1 0.27887700 0.55069700 0.87778300 1.0 O O37 1 0.01187800 0.10417200 0.70626500 1.0 O O38 1 0.19147000 0.97536900 0.11941900 1.0 O O39 1 0.48812200 0.10417200 0.20626500 1.0 O O40 1 0.77887700 0.44930300 0.62221700 1.0 O O41 1 0.51187800 0.89582800 0.79373500 1.0 O O42 1 0.97653200 0.36972800 0.82475900 1.0 O O43 1 0.98812200 0.89582800 0.29373500 1.0 O O44 1 0.33057000 0.02964100 0.89721400 1.0 O O45 1 0.16943000 0.02964100 0.39721400 1.0