# generated using pymatgen data_BaY2F8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30933710 _cell_length_b 6.30933710 _cell_length_c 4.26551654 _cell_angle_alpha 84.62363314 _cell_angle_beta 84.62363314 _cell_angle_gamma 112.83632812 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2F8 _chemical_formula_sum 'Ba1 Y2 F8' _cell_volume 154.22951627 _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 0.00000000 -0.00000000 0.50000000 1.0 Y Y1 1 0.67596686 0.32403314 0.00000000 1.0 Y Y2 1 0.32403314 0.67596686 0.00000000 1.0 F F3 1 0.95262280 0.67258458 0.06351146 1.0 F F4 1 0.67258458 0.95262280 0.06351146 1.0 F F5 1 0.60805586 0.60805586 0.72233375 1.0 F F6 1 0.25934810 0.74065190 0.50000000 1.0 F F7 1 0.74065190 0.25934810 0.50000000 1.0 F F8 1 0.39194414 0.39194414 0.27766625 1.0 F F9 1 0.32741542 0.04737720 0.93648854 1.0 F F10 1 0.04737720 0.32741542 0.93648854 1.0