data_[Tl6V2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.0201]
_cell_length_b [8.4833]
_cell_length_c [6.6292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl3VO4]
_chemical_formula_sum '[Tl6 V2 O8]'
_cell_volume [338.5515]
_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  0.0000  0.2311  0.5202  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0569  1.0
  V  V2  2  0.0000  0.5000  0.0105  1.0
  O  O3  4  0.0000  0.3304  0.1584  1.0
  O  O4  4  0.2443  0.5000  0.8631  1.0
]