data_[V4Hg2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [13.3615]
_cell_length_b [7.3275]
_cell_length_c [9.3514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2HgCl8]
_chemical_formula_sum '[V4 Hg2 Cl16]'
_cell_volume [850.5657]
_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
[
  V  V0  4  0.2100  0.0000  0.6937  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1473  0.2363  0.7672  1.0
  Cl  Cl3  4  0.1173  0.5000  0.2030  1.0
  Cl  Cl4  4  0.1604  0.0000  0.4473  1.0
]