data_[Cs6Sn12Au10]
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 [Pmmn]
_cell_length_a [4.8172]
_cell_length_b [14.3211]
_cell_length_c [14.0136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs3Sn6Au5]
_chemical_formula_sum '[Cs6 Sn12 Au10]'
_cell_volume [966.7645]
_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  0.0000  0.3359  0.7561  1
  Cs  Cs1  2  0.0000  0.0000  0.7370  1
  Sn  Sn2  4  0.0000  0.1721  0.9902  1
  Sn  Sn3  4  0.0000  0.3030  0.4298  1
  Sn  Sn4  2  0.0000  0.5000  0.0185  1
  Sn  Sn5  2  0.0000  0.5000  0.5487  1
  Au  Au6  4  0.0000  0.1120  0.4975  1
  Au  Au7  4  0.0000  0.3296  0.1110  1
  Au  Au8  2  0.0000  0.0000  0.0767  1
]