data_[Cs4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0109]
_cell_length_b [4.8208]
_cell_length_c [7.0683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAu2]
_chemical_formula_sum '[Cs4 Au8]'
_cell_volume [397.3153]
_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  0.1103  0.0000  0.3019  1
  Au  Au1  4  0.0998  0.5000  0.6899  1
  Au  Au2  4  0.2071  0.0000  0.8921  1
]