data_[Ba16Mg4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4674]
_cell_length_b [15.2112]
_cell_length_c [7.3777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4MgAu]
_chemical_formula_sum '[Ba16 Mg4 Au4]'
_cell_volume [1116.8973]
_cell_formula_units_Z [4]
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  8  0.1063  0.1694  0.5433  1.0
  Ba  Ba1  8  0.2109  0.4178  0.8877  1.0
  Mg  Mg2  4  0.0000  0.3747  0.2500  1.0
  Au  Au3  4  0.0000  0.0011  0.7500  1.0
]