data_[Tl4V2Cr2Cl12]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7602]
_cell_length_b [6.7629]
_cell_length_c [12.9517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2VCrCl6]
_chemical_formula_sum '[Tl4 V2 Cr2 Cl12]'
_cell_volume [505.6002]
_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  4  0.2491  0.0078  0.2500  1.0
  V  V1  2  0.5000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1824  0.1957  0.9960  1.0
  Cl  Cl4  4  0.2812  0.5017  0.2745  1.0
  Cl  Cl5  4  0.3016  0.6864  0.9971  1.0
]