# generated using pymatgen data_Ta8Re3Mo4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39247984 _cell_length_b 4.53392733 _cell_length_c 9.06818892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00025219 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta8Re3Mo4Ir _chemical_formula_sum 'Ta8 Re3 Mo4 Ir1' _cell_volume 262.82367331 _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 Ta Ta0 1 0.00365273 0.75000000 0.12502244 1.0 Ta Ta1 1 0.49636285 0.75000000 0.12502287 1.0 Ta Ta2 1 0.00138767 0.25000000 0.37674457 1.0 Ta Ta3 1 0.49863808 0.25000000 0.37674729 1.0 Ta Ta4 1 0.50094215 0.75000000 0.62498106 1.0 Ta Ta5 1 0.99903830 0.75000000 0.62498031 1.0 Ta Ta6 1 0.49861011 0.25000000 0.87325248 1.0 Ta Ta7 1 0.00136498 0.25000000 0.87325296 1.0 Re Re8 1 0.25000726 0.75000000 0.37394304 1.0 Re Re9 1 0.74999296 0.25000000 0.62497405 1.0 Re Re10 1 0.24999207 0.75000000 0.87605582 1.0 Mo Mo11 1 0.25000864 0.25000000 0.12501878 1.0 Mo Mo12 1 0.75000915 0.75000000 0.37259541 1.0 Mo Mo13 1 0.24999297 0.25000000 0.62498256 1.0 Mo Mo14 1 0.74999116 0.75000000 0.87740409 1.0 Ir Ir15 1 0.75000992 0.25000000 0.12501926 1.0