data_[Cs2Hg2Sb2S6]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5282]
_cell_length_b [4.1803]
_cell_length_c [10.4098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHgSbS3]
_chemical_formula_sum '[Cs2 Hg2 Sb2 S6]'
_cell_volume [402.1592]
_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  0.1730  0.2500  0.2232  1.0
  Hg  Hg1  2  0.1188  0.2500  0.6123  1.0
  Sb  Sb2  2  0.3558  0.7500  0.8731  1.0
  S  S3  2  0.1665  0.2500  0.8690  1.0
  S  S4  2  0.1822  0.7500  0.4970  1.0
  S  S5  2  0.4304  0.7500  0.1156  1.0
]