# generated using pymatgen data_SmTh2Ni13B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95772290 _cell_length_b 4.95772190 _cell_length_c 10.91904144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000671 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTh2Ni13B2 _chemical_formula_sum 'Sm1 Th2 Ni13 B2' _cell_volume 232.42322739 _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 Th Th1 1 0.00000000 0.00000000 0.67037210 1.0 Th Th2 1 0.00000000 0.00000000 0.32962790 1.0 Ni Ni3 1 0.00000000 0.50000000 0.86822205 1.0 Ni Ni4 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni7 1 0.33333300 0.66666700 0.31745979 1.0 Ni Ni8 1 0.66666700 0.33333300 0.31745979 1.0 Ni Ni9 1 0.66666700 0.33333300 0.68254021 1.0 Ni Ni10 1 0.33333300 0.66666700 0.68254021 1.0 Ni Ni11 1 0.50000000 0.00000000 0.13177795 1.0 Ni Ni12 1 0.50000000 0.50000000 0.13177795 1.0 Ni Ni13 1 0.00000000 0.50000000 0.13177795 1.0 Ni Ni14 1 0.50000000 0.00000000 0.86822205 1.0 Ni Ni15 1 0.50000000 0.50000000 0.86822205 1.0 B B16 1 0.66666700 0.33333300 0.00000000 1.0 B B17 1 0.33333300 0.66666700 0.00000000 1.0