# generated using pymatgen data_Th(BeIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61930773 _cell_length_b 5.61930773 _cell_length_c 7.66935777 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th(BeIr)4 _chemical_formula_sum 'Th2 Be8 Ir8' _cell_volume 242.17239129 _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 Th Th0 1 0.00000000 0.00000000 0.00000000 1.0 Th Th1 1 0.50000000 0.50000000 0.50000000 1.0 Be Be2 1 0.81499004 0.50000000 0.16847368 1.0 Be Be3 1 0.18500996 0.50000000 0.16847368 1.0 Be Be4 1 0.00000000 0.31499004 0.66847368 1.0 Be Be5 1 0.00000000 0.68500996 0.66847368 1.0 Be Be6 1 0.68500996 0.00000000 0.33152632 1.0 Be Be7 1 0.31499004 0.00000000 0.33152632 1.0 Be Be8 1 0.50000000 0.18500996 0.83152632 1.0 Be Be9 1 0.50000000 0.81499004 0.83152632 1.0 Ir Ir10 1 0.25451204 0.50000000 0.87073293 1.0 Ir Ir11 1 0.74548796 0.50000000 0.87073293 1.0 Ir Ir12 1 0.00000000 0.75451204 0.37073293 1.0 Ir Ir13 1 0.00000000 0.24548796 0.37073293 1.0 Ir Ir14 1 0.24548796 0.00000000 0.62926707 1.0 Ir Ir15 1 0.75451204 0.00000000 0.62926707 1.0 Ir Ir16 1 0.50000000 0.74548796 0.12926707 1.0 Ir Ir17 1 0.50000000 0.25451204 0.12926707 1.0