# generated using pymatgen data_TaNb5(GaC)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65555243 _cell_length_b 5.65555326 _cell_length_c 8.41308278 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.22128193 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb5(GaC)2 _chemical_formula_sum 'Ta1 Nb5 Ga2 C2' _cell_volume 149.61318346 _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 0.94994706 0.05005394 0.75000000 1.0 Nb Nb1 1 0.36757185 0.63242915 0.05121436 1.0 Nb Nb2 1 0.04966995 0.95033105 0.25000000 1.0 Nb Nb3 1 0.36757185 0.63242915 0.44878464 1.0 Nb Nb4 1 0.63233514 0.36766586 0.55261849 1.0 Nb Nb5 1 0.63233514 0.36766586 0.94738151 1.0 Ga Ga6 1 0.74289854 0.25710246 0.25000000 1.0 Ga Ga7 1 0.25771184 0.74228916 0.75000000 1.0 C C8 1 0.99998181 0.00001819 0.99846242 1.0 C C9 1 0.99998181 0.00001819 0.50153658 1.0