# generated using pymatgen data_TiNb7(GaC3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14800029 _cell_length_b 3.14799961 _cell_length_c 23.98559519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998614 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb7(GaC3)2 _chemical_formula_sum 'Ti1 Nb7 Ga2 C6' _cell_volume 205.84988367 _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 Ti Ti0 1 0.33333300 0.66666700 0.05502183 1.0 Nb Nb1 1 0.00000000 0.00000000 0.33941530 1.0 Nb Nb2 1 0.00000000 0.00000000 0.65985407 1.0 Nb Nb3 1 0.00000000 0.00000000 0.84199331 1.0 Nb Nb4 1 0.00000000 0.00000000 0.15794899 1.0 Nb Nb5 1 0.33333300 0.66666700 0.44303362 1.0 Nb Nb6 1 0.66666700 0.33333300 0.55609679 1.0 Nb Nb7 1 0.66666700 0.33333300 0.94743585 1.0 Ga Ga8 1 0.33333300 0.66666700 0.24783671 1.0 Ga Ga9 1 0.66666700 0.33333300 0.75129059 1.0 C C10 1 0.00000000 0.00000000 0.49963109 1.0 C C11 1 0.00000000 0.00000000 0.00212199 1.0 C C12 1 0.66666700 0.33333300 0.38895922 1.0 C C13 1 0.33333300 0.66666700 0.61019128 1.0 C C14 1 0.33333300 0.66666700 0.89264868 1.0 C C15 1 0.66666700 0.33333300 0.10651868 1.0