# generated using pymatgen data_Nb8Ga2HC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16617499 _cell_length_b 3.16617396 _cell_length_c 23.79488215 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998988 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8Ga2HC5 _chemical_formula_sum 'Nb8 Ga2 H1 C5' _cell_volume 206.57792982 _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 Nb Nb0 1 0.00000000 0.00000000 0.34264659 1.0 Nb Nb1 1 0.00000000 0.00000000 0.65735341 1.0 Nb Nb2 1 0.00000000 0.00000000 0.83926659 1.0 Nb Nb3 1 0.00000000 0.00000000 0.16073341 1.0 Nb Nb4 1 0.33333300 0.66666700 0.44521288 1.0 Nb Nb5 1 0.66666700 0.33333300 0.55478712 1.0 Nb Nb6 1 0.66666700 0.33333300 0.94334113 1.0 Nb Nb7 1 0.33333300 0.66666700 0.05665887 1.0 Ga Ga8 1 0.33333300 0.66666700 0.25222115 1.0 Ga Ga9 1 0.66666700 0.33333300 0.74777885 1.0 H H10 1 0.00000000 0.00000000 0.50000000 1.0 C C11 1 0.00000000 0.00000000 0.00000000 1.0 C C12 1 0.66666700 0.33333300 0.39368788 1.0 C C13 1 0.33333300 0.66666700 0.60631212 1.0 C C14 1 0.33333300 0.66666700 0.88901577 1.0 C C15 1 0.66666700 0.33333300 0.11098423 1.0