# generated using pymatgen data_NdYReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73419667 _cell_length_b 9.25533911 _cell_length_c 11.71009953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdYReB6 _chemical_formula_sum 'Nd4 Y4 Re4 B24' _cell_volume 404.71575345 _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 Nd Nd0 1 0.00000000 0.82350257 0.08547036 1.0 Nd Nd1 1 0.00000000 0.17649743 0.91452964 1.0 Nd Nd2 1 0.00000000 0.32350257 0.41452964 1.0 Nd Nd3 1 0.00000000 0.67649743 0.58547036 1.0 Y Y4 1 0.00000000 0.44213396 0.13169079 1.0 Y Y5 1 0.00000000 0.55786604 0.86830921 1.0 Y Y6 1 0.00000000 0.94213396 0.36830921 1.0 Y Y7 1 0.00000000 0.05786604 0.63169079 1.0 Re Re8 1 0.00000000 0.13892774 0.18069030 1.0 Re Re9 1 0.00000000 0.86107226 0.81930970 1.0 Re Re10 1 0.00000000 0.63892774 0.31930970 1.0 Re Re11 1 0.00000000 0.36107226 0.68069030 1.0 B B12 1 0.50000000 0.05514013 0.06978485 1.0 B B13 1 0.50000000 0.94485987 0.93021615 1.0 B B14 1 0.50000000 0.55514013 0.43021515 1.0 B B15 1 0.50000000 0.44485987 0.56978385 1.0 B B16 1 0.50000000 0.24911352 0.08466343 1.0 B B17 1 0.50000000 0.75088648 0.91533657 1.0 B B18 1 0.50000000 0.74911352 0.41533657 1.0 B B19 1 0.50000000 0.25088648 0.58466343 1.0 B B20 1 0.50000000 0.29034089 0.23428315 1.0 B B21 1 0.50000000 0.70965911 0.76571685 1.0 B B22 1 0.50000000 0.79034089 0.26571685 1.0 B B23 1 0.50000000 0.20965911 0.73428315 1.0 B B24 1 0.50000000 0.12940063 0.31322909 1.0 B B25 1 0.50000000 0.87059937 0.68677091 1.0 B B26 1 0.50000000 0.62940063 0.18677091 1.0 B B27 1 0.50000000 0.37059937 0.81322909 1.0 B B28 1 0.50000000 0.48432069 0.28732935 1.0 B B29 1 0.50000000 0.51567931 0.71267065 1.0 B B30 1 0.50000000 0.98432069 0.21267065 1.0 B B31 1 0.50000000 0.01567931 0.78732935 1.0 B B32 1 0.50000000 0.09573516 0.47346990 1.0 B B33 1 0.50000000 0.90426484 0.52653010 1.0 B B34 1 0.50000000 0.59573516 0.02653010 1.0 B B35 1 0.50000000 0.40426484 0.97346990 1.0