# generated using pymatgen data_Ba8Bi2F17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39242268 _cell_length_b 4.39242224 _cell_length_c 44.48082495 _cell_angle_alpha 60.41307339 _cell_angle_beta 60.41307689 _cell_angle_gamma 59.99999434 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Bi2F17 _chemical_formula_sum 'Ba8 Bi2 F17' _cell_volume 610.58982944 _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 Ba Ba0 1 0.00885781 0.00885781 0.99734266 1.0 Ba Ba1 1 0.99809506 0.99809506 0.30057148 1.0 Ba Ba2 1 0.99930372 0.99930372 0.10020889 1.0 Ba Ba3 1 0.00061880 0.00061880 0.19981436 1.0 Ba Ba4 1 0.98152227 0.98152227 0.50554332 1.0 Ba Ba5 1 0.99876612 0.99876612 0.40037017 1.0 Ba Ba6 1 -0.00047744 -0.00047744 0.70014323 1.0 Ba Ba7 1 0.01345424 0.01345424 0.89596373 1.0 Bi Bi8 1 0.98977472 0.98977472 0.60306759 1.0 Bi Bi9 1 0.00816396 0.00816396 0.79755081 1.0 F F10 1 0.24781611 0.24781611 0.12565517 1.0 F F11 1 0.75366350 0.75366350 0.07390095 1.0 F F12 1 0.24747409 0.24747409 0.32575777 1.0 F F13 1 0.74918449 0.74918449 0.17524465 1.0 F F14 1 0.75223081 0.75223081 0.27433076 1.0 F F15 1 0.25688395 0.25688395 0.52293481 1.0 F F16 1 0.74592931 0.74592931 0.37622121 1.0 F F17 1 0.25186098 0.25186098 0.62444171 1.0 F F18 1 0.76198244 0.76198244 0.47140527 1.0 F F19 1 0.24296638 0.24296638 0.72711008 1.0 F F20 1 0.74271668 0.74271668 0.57718499 1.0 F F21 1 0.25737451 0.25737451 0.82278765 1.0 F F22 1 0.74862912 0.74862912 0.67541126 1.0 F F23 1 0.24897719 0.24897719 0.92530684 1.0 F F24 1 0.74603310 0.74603310 0.77619007 1.0 F F25 1 0.75153047 0.75153047 0.87454086 1.0 F F26 1 0.74666761 0.74666761 0.97599972 1.0