data_[Ba16Sr4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [28.2348]
_cell_length_b [4.8146]
_cell_length_c [9.6057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Sr2Au]
_chemical_formula_sum '[Ba16 Sr4 Au2]'
_cell_volume [1286.7057]
_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  4  0.0030  0.0000  0.2357  1
  Ba  Ba1  4  0.1050  0.5000  0.5611  1
  Ba  Ba2  4  0.1159  0.5000  0.0504  1
  Ba  Ba3  4  0.2030  0.0000  0.3632  1
  Sr  Sr4  4  0.2094  0.0000  0.8446  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]