data_[Cs1In1Hg2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5445]
_cell_length_b [7.4496]
_cell_length_c [8.1609]
_cell_angle_alpha [114.4415]
_cell_angle_beta [108.6066]
_cell_angle_gamma [91.5211]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsIn(HgCl2)2]
_chemical_formula_sum '[Cs1 In1 Hg2 Cl4]'
_cell_volume [337.4394]
_cell_formula_units_Z [1]
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  1  0.4715  0.8929  0.4468  1.0
  In  In1  1  0.9910  0.2993  0.2713  1.0
  Hg  Hg2  1  0.0247  0.6462  0.9172  1.0
  Hg  Hg3  1  0.5045  0.5652  0.8629  1.0
  Cl  Cl4  1  0.3597  0.3088  0.2750  1.0
  Cl  Cl5  1  0.7264  0.1148  0.9526  1.0
  Cl  Cl6  1  0.9501  0.6431  0.4149  1.0
  Cl  Cl7  1  0.9721  0.1426  0.4722  1.0
]