# generated using pymatgen data_Ta3Ga2IrC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26783071 _cell_length_b 8.26777050 _cell_length_c 8.26778145 _cell_angle_alpha 59.99995621 _cell_angle_beta 60.00019710 _cell_angle_gamma 60.00005036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Ga2IrC _chemical_formula_sum 'Ta12 Ga8 Ir4 C4' _cell_volume 399.62683848 _cell_formula_units_Z 4 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 0.56275828 0.93723891 0.56276314 1.0 Ta Ta1 1 0.31276021 0.68723612 0.68724113 1.0 Ta Ta2 1 0.68724172 0.31276109 0.31276033 1.0 Ta Ta3 1 0.31276021 0.68723612 0.31276253 1.0 Ta Ta4 1 0.68724307 0.68723344 0.31276175 1.0 Ta Ta5 1 0.31275912 0.31276118 0.68723985 1.0 Ta Ta6 1 0.56275693 0.56276656 0.93723825 1.0 Ta Ta7 1 0.93723979 0.56276388 0.56275887 1.0 Ta Ta8 1 0.56275828 0.93723891 0.93723967 1.0 Ta Ta9 1 0.93724088 0.93723882 0.56276015 1.0 Ta Ta10 1 0.68724172 0.31276109 0.68723686 1.0 Ta Ta11 1 0.93723979 0.56276388 0.93723747 1.0 Ga Ga12 1 0.91446470 0.91442623 0.91444371 1.0 Ga Ga13 1 0.99333897 0.33556532 0.33554786 1.0 Ga Ga14 1 0.33554198 0.99333089 0.33556357 1.0 Ga Ga15 1 0.33553530 0.33557377 0.99333463 1.0 Ga Ga16 1 0.91445802 0.25666911 0.91443643 1.0 Ga Ga17 1 0.91446470 0.91442623 0.25666537 1.0 Ga Ga18 1 0.25666103 0.91443468 0.91445214 1.0 Ga Ga19 1 0.33553530 0.33557377 0.33555629 1.0 Ir Ir20 1 0.12500000 0.12500000 0.12500000 1.0 Ir Ir21 1 0.62500000 0.12500000 0.12500000 1.0 Ir Ir22 1 0.12500000 0.62500000 0.12500000 1.0 Ir Ir23 1 0.12500000 0.12500000 0.62500000 1.0 C C24 1 0.62500000 0.62500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.62500000 1.0 C C26 1 0.62500000 0.12500000 0.62500000 1.0 C C27 1 0.62500000 0.62500000 0.12500000 1.0