# generated using pymatgen data_Sm2NiB10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17095482 _cell_length_b 5.58752463 _cell_length_c 11.13907856 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2NiB10 _chemical_formula_sum 'Sm4 Ni2 B20' _cell_volume 259.59971000 _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 Sm Sm0 1 0.50000000 0.18697156 0.36286976 1.0 Sm Sm1 1 0.50000000 0.81302844 0.63713024 1.0 Sm Sm2 1 0.50000000 0.31302844 0.86286976 1.0 Sm Sm3 1 0.50000000 0.68697156 0.13713024 1.0 Ni Ni4 1 -0.00000000 -0.00000000 -0.00000000 1.0 Ni Ni5 1 -0.00000000 0.50000000 0.50000000 1.0 B B6 1 -0.00000000 0.37324866 0.04114816 1.0 B B7 1 -0.00000000 0.62675134 0.95885184 1.0 B B8 1 -0.00000000 0.12675134 0.54114816 1.0 B B9 1 -0.00000000 0.87324866 0.45885184 1.0 B B10 1 -0.00000000 0.34004423 0.19814194 1.0 B B11 1 -0.00000000 0.65995577 0.80185806 1.0 B B12 1 -0.00000000 0.15995577 0.69814194 1.0 B B13 1 -0.00000000 0.84004423 0.30185806 1.0 B B14 1 -0.00000000 0.02979777 0.18627469 1.0 B B15 1 -0.00000000 0.97020223 0.81372531 1.0 B B16 1 -0.00000000 0.47020223 0.68627469 1.0 B B17 1 -0.00000000 0.52979777 0.31372531 1.0 B B18 1 0.30053834 0.19976017 0.11403930 1.0 B B19 1 0.69946166 0.80023983 0.88596070 1.0 B B20 1 0.30053834 0.80023983 0.88596070 1.0 B B21 1 0.69946166 0.30023983 0.61403930 1.0 B B22 1 0.69946166 0.19976017 0.11403930 1.0 B B23 1 0.30053834 0.69976017 0.38596070 1.0 B B24 1 0.69946166 0.69976017 0.38596070 1.0 B B25 1 0.30053834 0.30023983 0.61403930 1.0