data_[Co2Hg1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1352]
_cell_length_b [3.6830]
_cell_length_c [6.8320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Co2HgCl]
_chemical_formula_sum '[Co2 Hg1 Cl1]'
_cell_volume [78.7239]
_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
[
  Co  Co0  1  0.1212  0.0000  0.0908  1
  Co  Co1  1  0.6244  0.5000  0.1212  1
  Hg  Hg2  1  0.6683  0.0000  0.4264  1
  Cl  Cl3  1  0.0861  0.5000  0.8617  1
]