# generated using pymatgen data_BaMg6Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18103600 _cell_length_b 6.86931600 _cell_length_c 12.09453900 _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 430.44674131 _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 0.32868500 1.0 Ba Ba1 1 0.00000000 0.00000000 0.82868500 1.0 Mg Mg2 1 0.00000000 0.26809500 0.08073500 1.0 Mg Mg3 1 0.00000000 0.73190500 0.08073500 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33484000 1.0 Mg Mg5 1 0.50000000 0.77688300 0.43280700 1.0 Mg Mg6 1 0.50000000 0.22311700 0.43280700 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16645600 1.0 Mg Mg8 1 0.00000000 0.76809500 0.58073500 1.0 Mg Mg9 1 0.00000000 0.23190500 0.58073500 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83484000 1.0 Mg Mg11 1 0.50000000 0.27688300 0.93280700 1.0 Mg Mg12 1 0.50000000 0.72311700 0.93280700 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66645600 1.0 Cr Cr14 1 0.50000000 0.50000000 0.14293600 1.0 Cr Cr15 1 0.50000000 0.00000000 0.64293600 1.0