# generated using pymatgen data_BaMg6Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26912300 _cell_length_b 6.72523600 _cell_length_c 11.86915000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Cr _chemical_formula_sum 'Ba2 Mg12 Cr2' _cell_volume 420.59633514 _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 0.50000000 0.00000000 0.16810700 1.0 Ba Ba1 1 0.50000000 0.50000000 0.66810700 1.0 Mg Mg2 1 0.50000000 0.24545500 0.41936500 1.0 Mg Mg3 1 0.50000000 0.75454500 0.41936500 1.0 Mg Mg4 1 0.00000000 0.72335300 0.08116500 1.0 Mg Mg5 1 0.00000000 0.27664700 0.08116500 1.0 Mg Mg6 1 0.00000000 0.00000000 0.34683800 1.0 Mg Mg7 1 0.00000000 0.50000000 0.32327100 1.0 Mg Mg8 1 0.50000000 0.74545500 0.91936500 1.0 Mg Mg9 1 0.50000000 0.25454500 0.91936500 1.0 Mg Mg10 1 0.00000000 0.22335300 0.58116500 1.0 Mg Mg11 1 0.00000000 0.77664700 0.58116500 1.0 Mg Mg12 1 0.00000000 0.50000000 0.84683800 1.0 Mg Mg13 1 0.00000000 0.00000000 0.82327100 1.0 Cr Cr14 1 0.50000000 0.50000000 0.16071900 1.0 Cr Cr15 1 0.50000000 0.00000000 0.66071900 1.0