data_[Cs4Sn4Au12]
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 [9.4104]
_cell_length_b [7.9181]
_cell_length_c [9.7009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSnAu3]
_chemical_formula_sum '[Cs4 Sn4 Au12]'
_cell_volume [660.1519]
_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  0.3630  0.1445  0.7662  1.0
  Sn  Sn1  4  0.1089  0.7409  0.4216  1.0
  Au  Au2  4  0.0024  0.5883  0.1247  1.0
  Au  Au3  4  0.0742  0.5586  0.6543  1.0
  Au  Au4  4  0.3661  0.5859  0.9389  1.0
]