data_[Cs4Zn4Hg2S8]
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
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9809]
_cell_length_b [3.9799]
_cell_length_c [7.7971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zn2HgS4]
_chemical_formula_sum '[Cs4 Zn4 Hg2 S8]'
_cell_volume [499.8746]
_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  0.1248  0.0000  0.5246  1.0
  Zn  Zn1  4  0.1769  0.5000  0.9923  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0377  0.5000  0.8050  1.0
  S  S4  4  0.2195  0.0000  0.1707  1.0
]