# generated using pymatgen data_Mg6MoC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15967500 _cell_length_b 9.93200500 _cell_length_c 10.78662600 _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 338.50490367 _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 0.00000000 0.69153800 0.09136200 1.0 Mg Mg1 1 0.00000000 0.30846200 0.09136200 1.0 Mg Mg2 1 0.00000000 0.50000000 0.85936400 1.0 Mg Mg3 1 0.50000000 0.76530100 0.84428400 1.0 Mg Mg4 1 0.50000000 0.23469900 0.84428400 1.0 Mg Mg5 1 0.50000000 0.50000000 0.59373400 1.0 Mg Mg6 1 0.00000000 0.19153800 0.59136200 1.0 Mg Mg7 1 0.00000000 0.80846200 0.59136200 1.0 Mg Mg8 1 0.00000000 0.00000000 0.35936400 1.0 Mg Mg9 1 0.50000000 0.26530100 0.34428400 1.0 Mg Mg10 1 0.50000000 0.73469900 0.34428400 1.0 Mg Mg11 1 0.50000000 0.00000000 0.09373400 1.0 Mo Mo12 1 0.00000000 0.50000000 0.28399500 1.0 Mo Mo13 1 0.00000000 0.00000000 0.78399500 1.0 C C14 1 0.50000000 0.50000000 0.39161500 1.0 C C15 1 0.50000000 0.00000000 0.89161500 1.0