# generated using pymatgen data_Mg6MoC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80177800 _cell_length_b 5.52541900 _cell_length_c 10.73386800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6MoC _chemical_formula_sum 'Mg12 Mo2 C2' _cell_volume 284.78921893 _cell_formula_units_Z 2 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 0.50000000 0.24942100 0.42663600 1.0 Mg Mg1 1 0.50000000 0.75057900 0.42663600 1.0 Mg Mg2 1 0.00000000 0.75528200 0.08058700 1.0 Mg Mg3 1 0.00000000 0.24471800 0.08058700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32445800 1.0 Mg Mg5 1 0.00000000 0.50000000 0.30887700 1.0 Mg Mg6 1 0.50000000 0.74942100 0.92663600 1.0 Mg Mg7 1 0.50000000 0.25057900 0.92663600 1.0 Mg Mg8 1 0.00000000 0.25528200 0.58058700 1.0 Mg Mg9 1 0.00000000 0.74471800 0.58058700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82445800 1.0 Mg Mg11 1 0.00000000 0.00000000 0.80887700 1.0 Mo Mo12 1 0.50000000 0.00000000 0.17966300 1.0 Mo Mo13 1 0.50000000 0.50000000 0.67966300 1.0 C C14 1 0.50000000 0.50000000 0.17255100 1.0 C C15 1 0.50000000 0.00000000 0.67255100 1.0