# generated using pymatgen data_YReB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61224035 _cell_length_b 5.97209956 _cell_length_c 11.54432216 _cell_angle_alpha 90.00100836 _cell_angle_beta 90.00000466 _cell_angle_gamma 90.00002274 _symmetry_Int_Tables_number 1 _chemical_formula_structural YReB4 _chemical_formula_sum 'Y4 Re4 B16' _cell_volume 249.04172538 _cell_formula_units_Z 4 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 -0.00000006 0.12649372 0.15026257 1.0 Y Y1 1 0.00000039 0.87350551 0.84974682 1.0 Y Y2 1 -0.00000002 0.62648940 0.34977804 1.0 Y Y3 1 0.00000011 0.37351094 0.65021198 1.0 Re Re4 1 0.00000112 0.13294995 0.41291962 1.0 Re Re5 1 -0.00000031 0.86705201 0.58704547 1.0 Re Re6 1 -0.00000013 0.63292863 0.08708161 1.0 Re Re7 1 0.00000014 0.36707543 0.91295375 1.0 B B8 1 0.49999995 0.47707384 0.19188963 1.0 B B9 1 0.50000008 0.52292307 0.80810603 1.0 B B10 1 0.50000021 0.97707479 0.30813354 1.0 B B11 1 0.49999977 0.02292218 0.69186956 1.0 B B12 1 0.49999978 0.28709820 0.31549936 1.0 B B13 1 0.49999987 0.71290262 0.68450431 1.0 B B14 1 0.50000003 0.78709886 0.18452198 1.0 B B15 1 0.50000024 0.21290121 0.81547427 1.0 B B16 1 0.50000016 0.36287166 0.46870830 1.0 B B17 1 0.49999939 0.63712904 0.53130036 1.0 B B18 1 0.50000015 0.86287604 0.03129652 1.0 B B19 1 0.49999990 0.13712393 0.96869515 1.0 B B20 1 0.49999981 0.38624720 0.04727208 1.0 B B21 1 0.49999999 0.61375324 0.95272257 1.0 B B22 1 0.49999980 0.88624980 0.45273147 1.0 B B23 1 0.49999961 0.11375072 0.54727402 1.0