data_[Cs8Zn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9522]
_cell_length_b [6.8959]
_cell_length_c [10.9514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.6443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2ZnS2]
_chemical_formula_sum '[Cs8 Zn4 S8]'
_cell_volume [830.6025]
_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  4  0.0984  0.0000  0.8157  1.0
  Cs  Cs1  4  0.1676  0.5000  0.5391  1.0
  Zn  Zn2  4  0.1236  0.5000  0.1579  1.0
  S  S3  4  0.0567  0.5000  0.8948  1.0
  S  S4  4  0.1868  0.0000  0.5995  1.0
]