data_[Cs4Si4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5692]
_cell_length_b [7.5150]
_cell_length_c [7.6624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSiAu3]
_chemical_formula_sum '[Cs4 Si4 Au12]'
_cell_volume [555.6449]
_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
[
  Cs  Cs0  4  0.1717  0.5000  0.5030  1.0
  Si  Si1  4  0.1633  0.0000  0.8788  1.0
  Au  Au2  8  0.1266  0.3135  0.0042  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.0000  0.0000  0.5000  1.0
]