data_[Mn2V2Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.1992]
_cell_length_b [10.7031]
_cell_length_c [8.8816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnVHgCl6]
_chemical_formula_sum '[Mn2 V2 Hg2 Cl12]'
_cell_volume [589.1967]
_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  0.6678  0.0000  1.0
  V  V1  2  0.0000  0.3341  0.0000  1.0
  Hg  Hg2  2  0.0000  0.9913  0.5000  1.0
  Cl  Cl3  4  0.1426  0.4960  0.1520  1.0
  Cl  Cl4  4  0.1754  0.1842  0.1527  1.0
  Cl  Cl5  4  0.1916  0.8232  0.1518  1.0
]