data_[Cs12Au4Se2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9410]
_cell_length_b [9.4333]
_cell_length_c [15.5252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs6Au2SeS]
_chemical_formula_sum '[Cs12 Au4 Se2 S2]'
_cell_volume [1077.2340]
_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  0.1039  0.5673  0.2451  1.0
  Cs  Cs1  4  0.2645  0.2011  0.0765  1.0
  Cs  Cs2  4  0.3724  0.6897  0.0694  1.0
  Au  Au3  4  0.2825  0.5781  0.7534  1.0
  Se  Se4  2  0.5000  0.0000  0.0000  1.0
  S  S5  2  0.0000  0.0000  0.5000  1.0
]