data_[Tl12Cu4Te8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3665]
_cell_length_b [4.6417]
_cell_length_c [12.6416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3CuTe2]
_chemical_formula_sum '[Tl12 Cu4 Te8]'
_cell_volume [832.3017]
_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  4  0.0559  0.0000  0.2544  1
  Tl  Tl1  4  0.1376  0.5000  0.9610  1
  Tl  Tl2  4  0.2346  0.5000  0.3242  1
  Cu  Cu3  4  0.0645  0.5000  0.6324  1
  Te  Te4  4  0.1169  0.5000  0.4757  1
  Te  Te5  4  0.1375  0.0000  0.7773  1
]