# generated using pymatgen data_K3Fe5F15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02262100 _cell_length_b 12.97654400 _cell_length_c 13.02774100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Fe5F15 _chemical_formula_sum 'K6 Fe10 F30' _cell_volume 680.04441161 _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 K K0 1 0.97238100 0.50000000 0.50000000 1.0 K K1 1 0.97238100 0.00000000 0.00000000 1.0 K K2 1 0.97176000 0.17627300 0.32334500 1.0 K K3 1 0.97176000 0.82372700 0.67665500 1.0 K K4 1 0.97176000 0.67627300 0.17665500 1.0 K K5 1 0.97176000 0.32372700 0.82334500 1.0 Fe Fe6 1 0.44339600 0.00000000 0.50000000 1.0 Fe Fe7 1 0.44339600 0.50000000 0.00000000 1.0 Fe Fe8 1 0.46167500 0.71282200 0.42408600 1.0 Fe Fe9 1 0.46167500 0.28717800 0.57591400 1.0 Fe Fe10 1 0.46167500 0.21282200 0.07591400 1.0 Fe Fe11 1 0.46167500 0.78717800 0.92408600 1.0 Fe Fe12 1 0.46130000 0.57646500 0.71369700 1.0 Fe Fe13 1 0.46130000 0.42353500 0.28630300 1.0 Fe Fe14 1 0.46130000 0.07646500 0.78630300 1.0 Fe Fe15 1 0.46130000 0.92353500 0.21369700 1.0 F F16 1 0.94633100 0.00000000 0.50000000 1.0 F F17 1 0.94633100 0.50000000 0.00000000 1.0 F F18 1 0.96199400 0.71101600 0.42567300 1.0 F F19 1 0.96199400 0.28898400 0.57432700 1.0 F F20 1 0.96199400 0.21101600 0.07432700 1.0 F F21 1 0.96199400 0.78898400 0.92567300 1.0 F F22 1 0.46176300 0.27412000 0.21810200 1.0 F F23 1 0.46176300 0.72588000 0.78189800 1.0 F F24 1 0.46176300 0.77412000 0.28189800 1.0 F F25 1 0.46176300 0.22588000 0.71810200 1.0 F F26 1 0.96119400 0.57471600 0.70841500 1.0 F F27 1 0.96119400 0.42528400 0.29158500 1.0 F F28 1 0.96119400 0.07471600 0.79158500 1.0 F F29 1 0.96119400 0.92528400 0.20841500 1.0 F F30 1 0.44857000 0.50870000 0.14770200 1.0 F F31 1 0.44857000 0.49130000 0.85229800 1.0 F F32 1 0.44857000 0.00870000 0.35229800 1.0 F F33 1 0.44857000 0.99130000 0.64770200 1.0 F F34 1 0.45070800 0.84917200 0.50468400 1.0 F F35 1 0.45070800 0.15082800 0.49531600 1.0 F F36 1 0.45070800 0.34917200 0.99531600 1.0 F F37 1 0.45070800 0.65082800 0.00468400 1.0 F F38 1 0.46703300 0.57220300 0.35848900 1.0 F F39 1 0.46703300 0.42779700 0.64151100 1.0 F F40 1 0.46703300 0.07220300 0.14151100 1.0 F F41 1 0.46703300 0.92779700 0.85848900 1.0 F F42 1 0.46844800 0.64602600 0.56422900 1.0 F F43 1 0.46844800 0.35397400 0.43577100 1.0 F F44 1 0.46844800 0.14602600 0.93577100 1.0 F F45 1 0.46844800 0.85397400 0.06422900 1.0