data_[Cs2Au2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1958]
_cell_length_b [6.4575]
_cell_length_c [6.9816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsAuS]
_chemical_formula_sum '[Cs2 Au2 S2]'
_cell_volume [252.2939]
_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  2  0.3361  0.2500  0.2146  1.0
  Au  Au1  2  0.0000  0.0000  0.5000  1.0
  S  S2  2  0.1096  0.7500  0.3163  1.0
]