data_[Tl12Te4O28]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5918]
_cell_length_b [10.7918]
_cell_length_c [7.7219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl3TeO7]
_chemical_formula_sum '[Tl12 Te4 O28]'
_cell_volume [632.6503]
_cell_formula_units_Z [4]
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  8  0.2448  0.2401  0.2500  1
  Tl  Tl1  4  0.0000  0.5000  0.0000  1
  Te  Te2  4  0.0000  0.0000  0.0000  1
  O  O3  16  0.1855  0.1245  0.5177  1
  O  O4  4  0.0000  0.0386  0.2500  1
  O  O5  4  0.0000  0.3513  0.2500  1
  O  O6  4  0.0000  0.3676  0.7500  1
]