# generated using pymatgen data_BaMg6Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98936000 _cell_length_b 6.08331400 _cell_length_c 14.01878300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Cu _chemical_formula_sum 'Ba2 Mg12 Cu2' _cell_volume 425.49590822 _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 0.50000000 0.20659300 1.0 Ba Ba1 1 0.50000000 0.00000000 0.70659300 1.0 Mg Mg2 1 0.50000000 0.24334200 0.44237200 1.0 Mg Mg3 1 0.50000000 0.75665800 0.44237200 1.0 Mg Mg4 1 0.00000000 0.75926200 0.07367900 1.0 Mg Mg5 1 0.00000000 0.24073800 0.07367900 1.0 Mg Mg6 1 0.00000000 0.00000000 0.28974900 1.0 Mg Mg7 1 0.00000000 0.50000000 0.37370600 1.0 Mg Mg8 1 0.50000000 0.74334200 0.94237200 1.0 Mg Mg9 1 0.50000000 0.25665800 0.94237200 1.0 Mg Mg10 1 0.00000000 0.25926200 0.57367900 1.0 Mg Mg11 1 0.00000000 0.74073800 0.57367900 1.0 Mg Mg12 1 0.00000000 0.50000000 0.78974900 1.0 Mg Mg13 1 0.00000000 0.00000000 0.87370600 1.0 Cu Cu14 1 0.50000000 0.00000000 0.09784700 1.0 Cu Cu15 1 0.50000000 0.50000000 0.59784700 1.0