data_[Tl2Te4Mo2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  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 [12.6069]
_cell_length_b [5.4670]
_cell_length_c [5.6325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlTe2MoO8]
_chemical_formula_sum '[Tl2 Te4 Mo2 O16]'
_cell_volume [356.4292]
_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  0.5000  0.5000  1
  Te  Te1  4  0.2196  0.5000  0.2105  1
  Mo  Mo2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.1068  0.2580  0.2274  1
  O  O4  4  0.0767  0.0000  0.7821  1
  O  O5  4  0.1856  0.5000  0.8534  1
]