data_[Ba2Hg4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1094]
_cell_length_b [4.6494]
_cell_length_c [6.2182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaHg2Cl]
_chemical_formula_sum '[Ba2 Hg4 Cl2]'
_cell_volume [275.7032]
_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
[
  Ba  Ba0  2  0.0112  0.5000  0.5896  1
  Hg  Hg1  2  0.0209  0.0000  0.0688  1
  Hg  Hg2  2  0.2478  0.5000  0.1944  1
  Cl  Cl3  2  0.2201  0.0000  0.6472  1
]