# generated using pymatgen data_BaMg6C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46676700 _cell_length_b 8.14434200 _cell_length_c 13.89626700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6C _chemical_formula_sum 'Ba2 Mg12 C2' _cell_volume 392.35465202 _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 Ba Ba0 1 0.00000000 0.50000000 0.34828000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.84828000 1.0 Mg Mg2 1 0.00000000 0.67144600 0.12774200 1.0 Mg Mg3 1 0.00000000 0.32855400 0.12774200 1.0 Mg Mg4 1 0.00000000 0.50000000 0.78466600 1.0 Mg Mg5 1 0.50000000 0.67044200 0.96225800 1.0 Mg Mg6 1 0.50000000 0.32955800 0.96225800 1.0 Mg Mg7 1 0.50000000 0.50000000 0.58534700 1.0 Mg Mg8 1 0.00000000 0.17144600 0.62774200 1.0 Mg Mg9 1 0.00000000 0.82855400 0.62774200 1.0 Mg Mg10 1 0.00000000 0.00000000 0.28466600 1.0 Mg Mg11 1 0.50000000 0.17044200 0.46225800 1.0 Mg Mg12 1 0.50000000 0.82955800 0.46225800 1.0 Mg Mg13 1 0.50000000 0.00000000 0.08534700 1.0 C C14 1 0.50000000 0.50000000 0.10170700 1.0 C C15 1 0.50000000 0.00000000 0.60170700 1.0