data_[Cs4Hg2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.6456]
_cell_length_b [8.8636]
_cell_length_c [7.3720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cs2HgGeS4]
_chemical_formula_sum '[Cs4 Hg2 Ge2 S8]'
_cell_volume [520.4801]
_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  0.0000  0.5554  0.0000  1.0
  Cs  Cs1  2  0.0000  0.7513  0.5000  1.0
  Hg  Hg2  2  0.0000  0.0779  0.0000  1.0
  Ge  Ge3  2  0.0000  0.2607  0.5000  1.0
  S  S4  4  0.1329  0.1041  0.4197  1.0
  S  S5  4  0.2053  0.3797  0.8378  1.0
]