# generated using pymatgen data_BaMg6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18587300 _cell_length_b 6.64804100 _cell_length_c 11.53525400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Mo _chemical_formula_sum 'Ba2 Mg12 Mo2' _cell_volume 397.68822098 _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 0.32897700 1.0 Ba Ba1 1 0.00000000 0.00000000 0.82897700 1.0 Mg Mg2 1 0.00000000 0.26954900 0.08499400 1.0 Mg Mg3 1 0.00000000 0.73045100 0.08499400 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33410300 1.0 Mg Mg5 1 0.50000000 0.77316300 0.42676100 1.0 Mg Mg6 1 0.50000000 0.22683700 0.42676100 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16548700 1.0 Mg Mg8 1 0.00000000 0.76954900 0.58499400 1.0 Mg Mg9 1 0.00000000 0.23045100 0.58499400 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83410300 1.0 Mg Mg11 1 0.50000000 0.27316300 0.92676100 1.0 Mg Mg12 1 0.50000000 0.72683700 0.92676100 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66548700 1.0 Mo Mo14 1 0.50000000 0.50000000 0.14792200 1.0 Mo Mo15 1 0.50000000 0.00000000 0.64792200 1.0