data_[Hg8Se4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9766]
_cell_length_b [7.6796]
_cell_length_c [8.6409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg2SeCl2]
_chemical_formula_sum '[Hg8 Se4 Cl8]'
_cell_volume [648.9226]
_cell_formula_units_Z [4]
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  4  0.1711  0.1217  0.5930  1
  Hg  Hg1  4  0.4983  0.6334  0.2021  1
  Se  Se2  4  0.3604  0.0923  0.8327  1
  Cl  Cl3  4  0.0053  0.7063  0.1215  1
  Cl  Cl4  4  0.3250  0.6083  0.9077  1
]