data_[Mn2Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4373]
_cell_length_b [11.7400]
_cell_length_c [6.3718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnHgCl6]
_chemical_formula_sum '[Mn2 Hg2 Cl12]'
_cell_volume [451.0695]
_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
[
  Mn  Mn0  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.2184  0.3585  0.7259  1.0
  Cl  Cl3  4  0.2172  0.5000  0.2916  1.0
]