data_[Cs4Sn12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1372]
_cell_length_b [6.5003]
_cell_length_c [14.4468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSn3Au]
_chemical_formula_sum '[Cs4 Sn12 Au4]'
_cell_volume [663.1273]
_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  0.3132  0.6307  0.2146  1.0
  Sn  Sn1  4  0.0180  0.1602  0.1584  1.0
  Sn  Sn2  4  0.1970  0.1533  0.0088  1.0
  Sn  Sn3  4  0.4581  0.7299  0.5206  1.0
  Au  Au4  4  0.2012  0.0153  0.3722  1.0
]