# generated using pymatgen data_Sm2B10Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19769828 _cell_length_b 5.71593019 _cell_length_c 11.39653840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2B10Ir _chemical_formula_sum 'Sm4 B20 Ir2' _cell_volume 273.44569673 _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 0.20696866 0.36601103 1.0 Sm Sm1 1 0.50000000 0.79303134 0.63398897 1.0 Sm Sm2 1 0.50000000 0.29303134 0.86601103 1.0 Sm Sm3 1 0.50000000 0.70696866 0.13398897 1.0 B B4 1 0.00000000 0.38085407 0.04285015 1.0 B B5 1 0.00000000 0.61914593 0.95714985 1.0 B B6 1 0.00000000 0.11914593 0.54285015 1.0 B B7 1 0.00000000 0.88085407 0.45714985 1.0 B B8 1 0.00000000 0.36188631 0.19714040 1.0 B B9 1 0.00000000 0.63811369 0.80285960 1.0 B B10 1 0.00000000 0.13811369 0.69714040 1.0 B B11 1 0.00000000 0.86188631 0.30285960 1.0 B B12 1 0.00000000 0.05517234 0.19283936 1.0 B B13 1 0.00000000 0.94482766 0.80716064 1.0 B B14 1 0.00000000 0.44482766 0.69283936 1.0 B B15 1 0.00000000 0.55517234 0.30716064 1.0 B B16 1 0.30050858 0.21864826 0.11856421 1.0 B B17 1 0.69949142 0.78135174 0.88143579 1.0 B B18 1 0.30050858 0.78135174 0.88143579 1.0 B B19 1 0.69949142 0.28135174 0.61856421 1.0 B B20 1 0.69949142 0.21864826 0.11856421 1.0 B B21 1 0.30050858 0.71864826 0.38143579 1.0 B B22 1 0.69949142 0.71864826 0.38143579 1.0 B B23 1 0.30050858 0.28135174 0.61856421 1.0 Ir Ir24 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0