# generated using pymatgen data_Ta3Ga2NiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17128411 _cell_length_b 8.17128431 _cell_length_c 8.17128280 _cell_angle_alpha 59.99999818 _cell_angle_beta 59.99999738 _cell_angle_gamma 59.99999905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Ga2NiC _chemical_formula_sum 'Ta12 Ga8 Ni4 C4' _cell_volume 385.79434570 _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 0.56409715 0.93590285 0.56409715 1.0 Ta Ta1 1 0.31409715 0.68590285 0.68590285 1.0 Ta Ta2 1 0.68590285 0.31409715 0.31409715 1.0 Ta Ta3 1 0.31409715 0.68590285 0.31409715 1.0 Ta Ta4 1 0.68590285 0.68590285 0.31409715 1.0 Ta Ta5 1 0.31409715 0.31409715 0.68590285 1.0 Ta Ta6 1 0.56409715 0.56409715 0.93590285 1.0 Ta Ta7 1 0.93590285 0.56409715 0.56409715 1.0 Ta Ta8 1 0.56409715 0.93590285 0.93590285 1.0 Ta Ta9 1 0.93590285 0.93590285 0.56409715 1.0 Ta Ta10 1 0.68590285 0.31409715 0.68590285 1.0 Ta Ta11 1 0.93590285 0.56409715 0.93590285 1.0 Ga Ga12 1 0.91666116 0.91666116 0.91666116 1.0 Ga Ga13 1 0.99998149 0.33333884 0.33333884 1.0 Ga Ga14 1 0.33333884 0.99998149 0.33333884 1.0 Ga Ga15 1 0.33333884 0.33333884 0.99998149 1.0 Ga Ga16 1 0.91666116 0.25001851 0.91666116 1.0 Ga Ga17 1 0.91666116 0.91666116 0.25001851 1.0 Ga Ga18 1 0.25001851 0.91666116 0.91666116 1.0 Ga Ga19 1 0.33333884 0.33333884 0.33333884 1.0 Ni Ni20 1 0.12500000 0.12500000 0.12500000 1.0 Ni Ni21 1 0.62500000 0.12500000 0.12500000 1.0 Ni Ni22 1 0.12500000 0.62500000 0.12500000 1.0 Ni Ni23 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