data_[Tl2V2Fe4Cl16]
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
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3474]
_cell_length_b [7.1269]
_cell_length_c [9.3285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlV(FeCl4)2]
_chemical_formula_sum '[Tl2 V2 Fe4 Cl16]'
_cell_volume [685.9367]
_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  0.0000  0.0000  0.5000  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1266  0.5000  0.7965  1.0
  Cl  Cl3  8  0.0111  0.2413  0.1915  1.0
  Cl  Cl4  4  0.1931  0.5000  0.5766  1.0
  Cl  Cl5  4  0.2344  0.0000  0.0005  1.0
]