# generated using pymatgen data_Mg6NbC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57054797 _cell_length_b 6.57054797 _cell_length_c 4.55968900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 130.06504390 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6NbC _chemical_formula_sum 'Mg6 Nb1 C1' _cell_volume 150.65314249 _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 Mg Mg0 1 0.30816700 0.20097500 0.50000000 1.0 Mg Mg1 1 0.79902500 0.69183300 0.50000000 1.0 Mg Mg2 1 0.16593100 0.33892600 0.00000000 1.0 Mg Mg3 1 0.66107400 0.83406900 0.00000000 1.0 Mg Mg4 1 0.66338600 0.33661400 0.00000000 1.0 Mg Mg5 1 0.19837700 0.80162300 0.00000000 1.0 Nb Nb6 1 0.81130900 0.18869100 0.50000000 1.0 C C7 1 0.39273500 0.60726500 0.50000000 1.0