data_[Tl12Cu8Te12]
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 [Cmcm]
_cell_length_a [4.5352]
_cell_length_b [12.9482]
_cell_length_c [15.8912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl3Cu2Te3]
_chemical_formula_sum '[Tl12 Cu8 Te12]'
_cell_volume [933.1700]
_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  0.0000  0.0987  0.6221  1
  Tl  Tl1  4  0.0000  0.4092  0.7500  1
  Cu  Cu2  8  0.0000  0.2232  0.0836  1
  Te  Te3  8  0.0000  0.3666  0.5400  1
  Te  Te4  4  0.0000  0.2689  0.2500  1
]