data_[Hg2H2Se2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8748]
_cell_length_b [4.3024]
_cell_length_c [5.8113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgHSeCl]
_chemical_formula_sum '[Hg2 H2 Se2 Cl2]'
_cell_volume [219.7192]
_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
[
  Hg  Hg0  2  0.2322  0.5000  0.0046  1
  H  H1  2  0.2183  0.0000  0.6034  1
  Se  Se2  2  0.3358  0.0000  0.8144  1
  Cl  Cl3  2  0.0846  0.5000  0.3312  1
]