data_[Mn2Hg4Cl16]
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 [12.3415]
_cell_length_b [6.7254]
_cell_length_c [10.1506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(HgCl4)2]
_chemical_formula_sum '[Mn2 Hg4 Cl16]'
_cell_volume [777.7682]
_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  0.0000  0.0000  1
  Hg  Hg1  4  0.1657  0.0000  0.3517  1
  Cl  Cl2  8  0.1373  0.2358  0.1003  1
  Cl  Cl3  4  0.0452  0.0000  0.7932  1
  Cl  Cl4  4  0.1504  0.5000  0.4624  1
]