# generated using pymatgen data_Th2B6Ir7Rh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65313650 _cell_length_b 5.65313612 _cell_length_c 8.67016263 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.13452514 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2B6Ir7Rh2 _chemical_formula_sum 'Th2 B6 Ir7 Rh2' _cell_volume 239.63291947 _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 Th Th0 1 0.00000000 0.00000000 0.70541731 1.0 Th Th1 1 0.00000000 0.00000000 0.29458269 1.0 B B2 1 0.66591854 0.33408146 0.00000000 1.0 B B3 1 0.33408146 0.66591854 0.00000000 1.0 B B4 1 0.66535279 0.33464721 0.66865156 1.0 B B5 1 0.33464721 0.66535279 0.66865156 1.0 B B6 1 0.33464721 0.66535279 0.33134844 1.0 B B7 1 0.66535279 0.33464721 0.33134844 1.0 Ir Ir8 1 0.50000000 0.00000000 0.83765022 1.0 Ir Ir9 1 0.00000000 0.50000000 0.83765022 1.0 Ir Ir10 1 0.50000000 0.00000000 0.16234978 1.0 Ir Ir11 1 0.00000000 0.50000000 0.16234978 1.0 Ir Ir12 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir13 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir14 1 0.00000000 0.50000000 0.50000000 1.0 Rh Rh15 1 0.50000000 0.50000000 0.83859170 1.0 Rh Rh16 1 0.50000000 0.50000000 0.16140830 1.0