# generated using pymatgen data_Sm3Cu6Ni7B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04066909 _cell_length_b 5.04066967 _cell_length_c 10.85370990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.96922944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Cu6Ni7B2 _chemical_formula_sum 'Sm3 Cu6 Ni7 B2' _cell_volume 238.90203178 _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 Sm Sm0 1 0.00000000 0.00000000 0.00000000 1.0 Sm Sm1 1 0.00000000 0.00000000 0.67806891 1.0 Sm Sm2 1 0.00000000 0.00000000 0.32193109 1.0 Cu Cu3 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.66489095 0.33510905 0.68411737 1.0 Cu Cu6 1 0.33510905 0.66489095 0.68411737 1.0 Cu Cu7 1 0.33510905 0.66489095 0.31588263 1.0 Cu Cu8 1 0.66489095 0.33510905 0.31588263 1.0 Ni Ni9 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.50000000 0.50000000 0.87041254 1.0 Ni Ni11 1 0.50000000 0.00000000 0.87005339 1.0 Ni Ni12 1 0.00000000 0.50000000 0.87005339 1.0 Ni Ni13 1 0.50000000 0.50000000 0.12958746 1.0 Ni Ni14 1 0.50000000 0.00000000 0.12994661 1.0 Ni Ni15 1 0.00000000 0.50000000 0.12994661 1.0 B B16 1 0.66707434 0.33292566 0.00000000 1.0 B B17 1 0.33292566 0.66707434 0.00000000 1.0