# generated using pymatgen data_BaMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24019200 _cell_length_b 6.79930800 _cell_length_c 11.66709000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Zr _chemical_formula_sum 'Ba2 Mg12 Zr2' _cell_volume 415.69467608 _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 0.08711200 1.0 Ba Ba1 1 0.50000000 0.00000000 0.58711200 1.0 Mg Mg2 1 0.00000000 0.22871000 0.16989900 1.0 Mg Mg3 1 0.00000000 0.77129000 0.16989900 1.0 Mg Mg4 1 0.00000000 0.50000000 0.90667400 1.0 Mg Mg5 1 0.50000000 0.24122600 0.83944200 1.0 Mg Mg6 1 0.50000000 0.75877400 0.83944200 1.0 Mg Mg7 1 0.50000000 0.50000000 0.57314600 1.0 Mg Mg8 1 0.00000000 0.72871000 0.66989900 1.0 Mg Mg9 1 0.00000000 0.27129000 0.66989900 1.0 Mg Mg10 1 0.00000000 0.00000000 0.40667400 1.0 Mg Mg11 1 0.50000000 0.74122600 0.33944200 1.0 Mg Mg12 1 0.50000000 0.25877400 0.33944200 1.0 Mg Mg13 1 0.50000000 0.00000000 0.07314600 1.0 Zr Zr14 1 0.00000000 0.50000000 0.41438600 1.0 Zr Zr15 1 0.00000000 0.00000000 0.91438600 1.0