# generated using pymatgen data_La4BeB15Ru14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46182368 _cell_length_b 6.48892772 _cell_length_c 10.10950768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.03726997 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4BeB15Ru14 _chemical_formula_sum 'La4 Be1 B15 Ru14' _cell_volume 423.89466902 _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 La La0 1 0.73232742 0.87954757 0.00086859 1.0 La La1 1 0.12398839 0.73459979 0.49843272 1.0 La La2 1 0.87601161 0.26540021 0.49843272 1.0 La La3 1 0.26767258 0.12045243 0.00086859 1.0 Be Be4 1 0.50000000 0.50000000 0.34965275 1.0 B B5 1 0.50000000 0.00000000 0.59001615 1.0 B B6 1 0.50000000 0.00000000 0.41003227 1.0 B B7 1 0.89504617 0.27782028 0.17207502 1.0 B B8 1 0.10390208 0.72279704 0.82903178 1.0 B B9 1 0.50000000 0.50000000 0.84100807 1.0 B B10 1 0.27539446 0.10138560 0.67339540 1.0 B B11 1 0.10495383 0.72217972 0.17207502 1.0 B B12 1 0.27829012 0.10589855 0.32669415 1.0 B B13 1 0.89609792 0.27720296 0.82903178 1.0 B B14 1 0.50000000 0.50000000 0.65514691 1.0 B B15 1 0.50000000 0.50000000 0.15768043 1.0 B B16 1 0.00000000 0.50000000 0.91037448 1.0 B B17 1 0.72460554 0.89861440 0.67339540 1.0 B B18 1 0.72170988 0.89410145 0.32669415 1.0 B B19 1 0.00000000 0.50000000 0.08785686 1.0 Ru Ru20 1 0.20557837 0.39924518 0.75379846 1.0 Ru Ru21 1 0.38931207 0.27511065 0.50451701 1.0 Ru Ru22 1 0.40019727 0.79758951 0.25036908 1.0 Ru Ru23 1 0.20265593 0.39787978 0.24301779 1.0 Ru Ru24 1 0.61068793 0.72488935 0.50451701 1.0 Ru Ru25 1 0.60000708 0.20550050 0.74736445 1.0 Ru Ru26 1 0.28457603 0.60005480 0.99905794 1.0 Ru Ru27 1 0.71542397 0.39994520 0.99905794 1.0 Ru Ru28 1 0.79734407 0.60212022 0.24301779 1.0 Ru Ru29 1 0.79442163 0.60075482 0.75379846 1.0 Ru Ru30 1 0.39999292 0.79449950 0.74736445 1.0 Ru Ru31 1 0.00000000 0.00000000 0.24849327 1.0 Ru Ru32 1 0.59980273 0.20241049 0.25036908 1.0 Ru Ru33 1 0.00000000 0.00000000 0.75249200 1.0