data_[Cs8Au8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9123]
_cell_length_b [13.5541]
_cell_length_c [7.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2Au2Se3]
_chemical_formula_sum '[Cs8 Au8 Se12]'
_cell_volume [1042.8957]
_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  8  0.2433  0.1044  0.6288  1.0
  Au  Au1  8  0.0679  0.2828  0.9615  1.0
  Se  Se2  8  0.1097  0.1563  0.1827  1.0
  Se  Se3  4  0.0000  0.4089  0.7500  1.0
]