# generated using pymatgen data_La2B8Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46111793 _cell_length_b 6.46111793 _cell_length_c 10.08939463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2B8Ru7 _chemical_formula_sum 'La4 B16 Ru14' _cell_volume 421.19232154 _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 La La0 1 0.73335588 0.87847312 0.00000000 1.0 La La1 1 0.12152688 0.73335588 0.50000000 1.0 La La2 1 0.87847312 0.26664412 0.50000000 1.0 La La3 1 0.26664412 0.12152688 0.00000000 1.0 B B4 1 0.50000000 0.00000000 0.58917864 1.0 B B5 1 0.50000000 0.00000000 0.41082136 1.0 B B6 1 0.89627696 0.27650252 0.17137471 1.0 B B7 1 0.10372304 0.72349748 0.82862529 1.0 B B8 1 0.50000000 0.50000000 0.34181715 1.0 B B9 1 0.50000000 0.50000000 0.84181715 1.0 B B10 1 0.27650252 0.10372304 0.67137471 1.0 B B11 1 0.10372304 0.72349748 0.17137471 1.0 B B12 1 0.27650252 0.10372304 0.32862529 1.0 B B13 1 0.89627696 0.27650252 0.82862529 1.0 B B14 1 0.50000000 0.50000000 0.65818285 1.0 B B15 1 0.50000000 0.50000000 0.15818285 1.0 B B16 1 0.00000000 0.50000000 0.91082136 1.0 B B17 1 0.72349748 0.89627696 0.67137471 1.0 B B18 1 0.72349748 0.89627696 0.32862529 1.0 B B19 1 0.00000000 0.50000000 0.08917864 1.0 Ru Ru20 1 0.20499263 0.40012794 0.75265480 1.0 Ru Ru21 1 0.39845064 0.28442860 0.50000000 1.0 Ru Ru22 1 0.40012794 0.79500737 0.25265480 1.0 Ru Ru23 1 0.20499263 0.40012794 0.24734520 1.0 Ru Ru24 1 0.60154936 0.71557140 0.50000000 1.0 Ru Ru25 1 0.59987206 0.20499263 0.74734520 1.0 Ru Ru26 1 0.28442860 0.60154936 0.00000000 1.0 Ru Ru27 1 0.71557140 0.39845064 0.00000000 1.0 Ru Ru28 1 0.79500737 0.59987206 0.24734520 1.0 Ru Ru29 1 0.79500737 0.59987206 0.75265480 1.0 Ru Ru30 1 0.40012794 0.79500737 0.74734520 1.0 Ru Ru31 1 0.00000000 0.00000000 0.25000000 1.0 Ru Ru32 1 0.59987206 0.20499263 0.25265480 1.0 Ru Ru33 1 0.00000000 0.00000000 0.75000000 1.0