data_[Ba16Sr4Au4]
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/c]
_cell_length_a [11.3335]
_cell_length_b [15.4527]
_cell_length_c [7.5867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4SrAu]
_chemical_formula_sum '[Ba16 Sr4 Au4]'
_cell_volume [1268.7661]
_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  0.1049  0.1611  0.0507  1.0
  Ba  Ba1  8  0.2378  0.4044  0.3786  1.0
  Sr  Sr2  4  0.0000  0.3906  0.7500  1.0
  Au  Au3  4  0.0000  0.0016  0.7500  1.0
]