data_[Cs6Sn8Au2]
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 [7.5431]
_cell_length_b [14.0326]
_cell_length_c [6.7705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs3Sn4Au]
_chemical_formula_sum '[Cs6 Sn8 Au2]'
_cell_volume [716.6528]
_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  0.2420  0.1670  1.0
  Cs  Cs1  2  0.0000  0.0000  0.5538  1.0
  Sn  Sn2  4  0.0000  0.3884  0.6645  1.0
  Sn  Sn3  4  0.2088  0.5000  0.9566  1.0
  Au  Au4  2  0.0000  0.5000  0.3108  1.0
]