data_[Tl2V4I2O16]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1459]
_cell_length_b [5.8168]
_cell_length_c [8.2931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlV2IO8]
_chemical_formula_sum '[Tl2 V4 I2 O16]'
_cell_volume [440.7507]
_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  4  0.1335  0.5000  0.7986  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0240  0.2455  0.8199  1.0
  O  O4  4  0.1956  0.5000  0.6150  1.0
  O  O5  4  0.2233  0.0000  0.0510  1.0
]