# generated using pymatgen data_Sm3Ni7B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15990405 _cell_length_b 5.15990405 _cell_length_c 14.41831400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ni7B2 _chemical_formula_sum 'Sm6 Ni14 B4' _cell_volume 332.45154810 _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 0.33333300 0.66666700 0.75000000 1.0 Sm Sm1 1 0.66666700 0.33333300 0.25000000 1.0 Sm Sm2 1 0.33333300 0.66666700 0.53133400 1.0 Sm Sm3 1 0.66666700 0.33333300 0.03133400 1.0 Sm Sm4 1 0.66666700 0.33333300 0.46866600 1.0 Sm Sm5 1 0.33333300 0.66666700 0.96866600 1.0 Ni Ni6 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni7 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni8 1 0.16521100 0.33042200 0.15105800 1.0 Ni Ni9 1 0.83478900 0.66957800 0.65105800 1.0 Ni Ni10 1 0.66957800 0.83478900 0.15105800 1.0 Ni Ni11 1 0.16521100 0.83478900 0.15105800 1.0 Ni Ni12 1 0.83478900 0.16521100 0.65105800 1.0 Ni Ni13 1 0.33042200 0.16521100 0.65105800 1.0 Ni Ni14 1 0.83478900 0.66957800 0.84894200 1.0 Ni Ni15 1 0.83478900 0.16521100 0.84894200 1.0 Ni Ni16 1 0.33042200 0.16521100 0.84894200 1.0 Ni Ni17 1 0.66957800 0.83478900 0.34894200 1.0 Ni Ni18 1 0.16521100 0.83478900 0.34894200 1.0 Ni Ni19 1 0.16521100 0.33042200 0.34894200 1.0 B B20 1 0.33333300 0.66666700 0.25000000 1.0 B B21 1 0.66666700 0.33333300 0.75000000 1.0 B B22 1 0.00000000 0.00000000 0.25000000 1.0 B B23 1 0.00000000 0.00000000 0.75000000 1.0