data_[Cu1Hg1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2853]
_cell_length_b [3.6060]
_cell_length_c [5.9620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CuHgCl2]
_chemical_formula_sum '[Cu1 Hg1 Cl2]'
_cell_volume [111.5680]
_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
[
  Cu  Cu0  1  0.3879  0.0000  0.4416  1
  Hg  Hg1  1  0.6033  0.5000  0.1843  1
  Cl  Cl2  1  0.0222  0.0000  0.1816  1
  Cl  Cl3  1  0.4866  0.5000  0.6926  1
]