data_[Cs4Sn4Au6]
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 [C2/m]
_cell_length_a [12.9098]
_cell_length_b [4.9143]
_cell_length_c [7.4354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sn2Au3]
_chemical_formula_sum '[Cs4 Sn4 Au6]'
_cell_volume [461.5695]
_cell_formula_units_Z [2]
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  0.1432  0.5000  0.8515  1.0
  Sn  Sn1  4  0.0846  0.0000  0.3761  1.0
  Au  Au2  4  0.1924  0.5000  0.4285  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
]