data_[Cs6In18Au12]
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 [18.9879]
_cell_length_b [4.7187]
_cell_length_c [11.8900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsIn3Au2]
_chemical_formula_sum '[Cs6 In18 Au12]'
_cell_volume [1028.0279]
_cell_formula_units_Z [6]
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  0.1575  0.0000  0.7112  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0436  0.0000  0.3569  1
  In  In3  4  0.1282  0.5000  0.2100  1
  In  In4  4  0.1727  0.5000  0.9677  1
  In  In5  4  0.2140  0.0000  0.3865  1
  In  In6  2  0.0000  0.5000  0.5000  1
  Au  Au7  4  0.0288  0.5000  0.7839  1
  Au  Au8  4  0.1459  0.5000  0.4575  1
  Au  Au9  4  0.1971  0.0000  0.1251  1
]