# generated using pymatgen data_Th2Al9ReIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60057411 _cell_length_b 7.60057357 _cell_length_c 9.51245248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.86208221 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Al9ReIr2 _chemical_formula_sum 'Th4 Al18 Re2 Ir4' _cell_volume 485.81892451 _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 0.99393059 0.68968015 0.75000000 1.0 Th Th1 1 0.00606941 0.31031985 0.25000000 1.0 Th Th2 1 0.68968015 0.99393059 0.75000000 1.0 Th Th3 1 0.31031985 0.00606941 0.25000000 1.0 Al Al4 1 0.14653290 0.14653290 0.75000000 1.0 Al Al5 1 0.85346710 0.85346710 0.25000000 1.0 Al Al6 1 0.00841446 0.34455923 0.57675722 1.0 Al Al7 1 0.99158554 0.65544077 0.42324278 1.0 Al Al8 1 0.99158554 0.65544077 0.07675722 1.0 Al Al9 1 0.34455923 0.00841446 0.92324278 1.0 Al Al10 1 0.00841446 0.34455923 0.92324278 1.0 Al Al11 1 0.65544077 0.99158554 0.07675722 1.0 Al Al12 1 0.65544077 0.99158554 0.42324278 1.0 Al Al13 1 0.34455923 0.00841446 0.57675722 1.0 Al Al14 1 0.33434651 0.33434651 0.03202034 1.0 Al Al15 1 0.66565349 0.66565349 0.96797966 1.0 Al Al16 1 0.66565349 0.66565349 0.53202034 1.0 Al Al17 1 0.33434651 0.33434651 0.46797966 1.0 Al Al18 1 0.34523719 0.55443469 0.75000000 1.0 Al Al19 1 0.65476281 0.44556531 0.25000000 1.0 Al Al20 1 0.55443469 0.34523719 0.75000000 1.0 Al Al21 1 0.44556531 0.65476281 0.25000000 1.0 Re Re22 1 0.00000000 0.00000000 0.50000000 1.0 Re Re23 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir24 1 0.67201762 0.32798238 0.50000000 1.0 Ir Ir25 1 0.32798238 0.67201762 0.50000000 1.0 Ir Ir26 1 0.32798238 0.67201762 0.00000000 1.0 Ir Ir27 1 0.67201762 0.32798238 0.00000000 1.0