# generated using pymatgen data_Y7BI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.58303319 _cell_length_b 9.58303383 _cell_length_c 9.58303338 _cell_angle_alpha 107.63386607 _cell_angle_beta 107.63386710 _cell_angle_gamma 107.63386252 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y7BI12 _chemical_formula_sum 'Y7 B1 I12' _cell_volume 719.86800483 _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 Y Y0 1 0.70678035 0.96820575 0.90070134 1.0 Y Y1 1 0.96820575 0.90070134 0.70678035 1.0 Y Y2 1 0.50000000 0.50000000 0.50000000 1.0 Y Y3 1 0.09929866 0.29321965 0.03179425 1.0 Y Y4 1 0.29321965 0.03179425 0.09929866 1.0 Y Y5 1 0.90070134 0.70678035 0.96820575 1.0 Y Y6 1 0.03179425 0.09929866 0.29321965 1.0 B B7 1 0.00000000 0.00000000 0.00000000 1.0 I I8 1 0.07627173 0.22691324 0.68460732 1.0 I I9 1 0.38972157 0.15214838 0.46985615 1.0 I I10 1 0.61027843 0.84785162 0.53014385 1.0 I I11 1 0.22691324 0.68460732 0.07627173 1.0 I I12 1 0.77308676 0.31539268 0.92372827 1.0 I I13 1 0.68460732 0.07627173 0.22691324 1.0 I I14 1 0.53014385 0.61027843 0.84785162 1.0 I I15 1 0.84785162 0.53014385 0.61027843 1.0 I I16 1 0.92372827 0.77308676 0.31539268 1.0 I I17 1 0.31539268 0.92372827 0.77308676 1.0 I I18 1 0.46985615 0.38972157 0.15214838 1.0 I I19 1 0.15214838 0.46985615 0.38972157 1.0