data_[Tl2Cu4Te6]
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 [P-3m1]
_cell_length_a [7.7819]
_cell_length_b [7.7819]
_cell_length_c [5.8910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TlCu2Te3]
_chemical_formula_sum '[Tl2 Cu4 Te6]'
_cell_volume [308.9460]
_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  0.3333  0.6667  0.6708  1.0
  Cu  Cu1  3  0.0000  0.5000  0.0000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  6  0.1704  0.3408  0.2386  1.0
]