data_[Ba12Si8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6023]
_cell_length_b [11.4068]
_cell_length_c [11.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba3Si2Au]
_chemical_formula_sum '[Ba12 Si8 Au4]'
_cell_volume [807.3642]
_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  4  0.2085  0.0308  0.4012  1
  Ba  Ba1  4  0.2873  0.1108  0.0303  1
  Ba  Ba2  4  0.3229  0.7271  0.6572  1
  Si  Si3  4  0.1460  0.6254  0.3601  1
  Si  Si4  4  0.3039  0.0096  0.7323  1
  Au  Au5  4  0.1049  0.2042  0.7138  1
]