data_[In2Hg2S2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8567]
_cell_length_b [3.9626]
_cell_length_c [10.5399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InHgSCl]
_chemical_formula_sum '[In2 Hg2 S2 Cl2]'
_cell_volume [280.8377]
_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
[
  In  In0  2  0.1195  0.5000  0.5169  1.0
  Hg  Hg1  2  0.4149  0.0000  0.9464  1.0
  S  S2  2  0.4848  0.5000  0.6235  1.0
  Cl  Cl3  2  0.0478  0.5000  0.2910  1.0
]