data_[Tl2V4Mo2O16]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4643]
_cell_length_b [5.6654]
_cell_length_c [8.0567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlV2MoO8]
_chemical_formula_sum '[Tl2 V4 Mo2 O16]'
_cell_volume [431.7929]
_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  0.1461  0.5000  0.7917  1.0
  Mo  Mo2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0436  0.2405  0.8318  1.0
  O  O4  4  0.1867  0.5000  0.5940  1.0
  O  O5  4  0.1997  0.0000  0.0834  1.0
]