data_[Tl2V2Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [P2_1/m]
_cell_length_a [8.3950]
_cell_length_b [7.3402]
_cell_length_c [8.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlVHgCl4]
_chemical_formula_sum '[Tl2 V2 Hg2 Cl8]'
_cell_volume [530.0542]
_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
[
  Tl  Tl0  2  0.2551  0.7500  0.6219  1.0
  V  V1  2  0.2287  0.2500  0.3312  1.0
  Hg  Hg2  2  0.2770  0.7500  0.0171  1.0
  Cl  Cl3  4  0.0642  0.0055  0.3144  1.0
  Cl  Cl4  2  0.3577  0.2500  0.1473  1.0
  Cl  Cl5  2  0.4197  0.2500  0.5637  1.0
]