# generated using pymatgen data_LaTh3(B10Ir)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21445031 _cell_length_b 5.74241628 _cell_length_c 11.48653818 _cell_angle_alpha 89.98953162 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTh3(B10Ir)2 _chemical_formula_sum 'La1 Th3 B20 Ir2' _cell_volume 277.98717719 _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 La La0 1 0.50000000 0.29557579 0.86418968 1.0 Th Th1 1 0.50000000 0.70665881 0.13406917 1.0 Th Th2 1 0.50000000 0.79551849 0.63508468 1.0 Th Th3 1 0.50000000 0.20488022 0.36488677 1.0 B B4 1 0.00000000 0.11773182 0.54273635 1.0 B B5 1 0.00000000 0.88154347 0.45690918 1.0 B B6 1 0.00000000 0.61726854 0.95661089 1.0 B B7 1 0.00000000 0.38056868 0.04369754 1.0 B B8 1 0.00000000 0.13730931 0.69655558 1.0 B B9 1 0.00000000 0.86331040 0.30327673 1.0 B B10 1 0.30128693 0.21690772 0.11970372 1.0 B B11 1 0.30095520 0.78323200 0.88128532 1.0 B B12 1 0.69774169 0.71699545 0.38070815 1.0 B B13 1 0.69825530 0.28296136 0.61820074 1.0 B B14 1 0.69904480 0.78323200 0.88128532 1.0 B B15 1 0.69871307 0.21690772 0.11970372 1.0 B B16 1 0.30174470 0.28296136 0.61820074 1.0 B B17 1 0.30225831 0.71699545 0.38070815 1.0 B B18 1 0.00000000 0.05509829 0.19388144 1.0 B B19 1 0.00000000 0.94569827 0.80745918 1.0 B B20 1 0.00000000 0.55506830 0.30669335 1.0 B B21 1 0.00000000 0.44615875 0.69214968 1.0 B B22 1 0.00000000 0.36339552 0.19746337 1.0 B B23 1 0.00000000 0.63810611 0.80266474 1.0 Ir Ir24 1 0.00000000 0.50007587 0.49953157 1.0 Ir Ir25 1 0.00000000 0.99584030 0.00234123 1.0