data_[Cs12In4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5198]
_cell_length_b [5.1957]
_cell_length_c [13.4825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3InAu2]
_chemical_formula_sum '[Cs12 In4 Au8]'
_cell_volume [1229.1851]
_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  0.0488  0.0000  0.2421  1.0
  Cs  Cs1  4  0.1626  0.5000  0.9930  1.0
  Cs  Cs2  4  0.2225  0.0000  0.6158  1.0
  In  In3  4  0.0730  0.5000  0.6489  1.0
  Au  Au4  4  0.0911  0.5000  0.4505  1.0
  Au  Au5  4  0.1220  0.0000  0.7599  1.0
]