data_[Tl4Cu2Te4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3733]
_cell_length_b [5.5210]
_cell_length_c [8.3716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cu(TeO3)2]
_chemical_formula_sum '[Tl4 Cu2 Te4 O12]'
_cell_volume [441.7467]
_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  0.1980  0.5000  0.1227  1.0
  Cu  Cu1  2  0.0000  0.5000  0.5000  1.0
  Te  Te2  4  0.0837  0.0000  0.3239  1.0
  O  O3  8  0.1160  0.2574  0.5015  1.0
  O  O4  4  0.1121  0.0000  0.8917  1.0
]