data_[In2Hg4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4260]
_cell_length_b [4.5419]
_cell_length_c [12.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InHg2Cl]
_chemical_formula_sum '[In2 Hg4 Cl2]'
_cell_volume [247.5163]
_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  0.1810  0.7500  0.3615  1.0
  Hg  Hg1  2  0.0587  0.2500  0.1020  1.0
  Hg  Hg2  2  0.4226  0.2500  0.8528  1.0
  Cl  Cl3  2  0.2944  0.7500  0.5981  1.0
]