data_[Cs12Tl4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2616]
_cell_length_b [5.3599]
_cell_length_c [13.4962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3TlAu2]
_chemical_formula_sum '[Cs12 Tl4 Au8]'
_cell_volume [1283.6749]
_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  0.0500  0.0000  0.2451  1.0
  Cs  Cs1  4  0.1602  0.5000  0.9902  1.0
  Cs  Cs2  4  0.2220  0.0000  0.6143  1.0
  Tl  Tl3  4  0.0741  0.5000  0.6520  1.0
  Au  Au4  4  0.0998  0.5000  0.4483  1.0
  Au  Au5  4  0.1298  0.0000  0.7762  1.0
]