data_[Tl4Cu4Te8]
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 [Cm]
_cell_length_a [18.8287]
_cell_length_b [4.1397]
_cell_length_c [6.4684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCuTe2]
_chemical_formula_sum '[Tl4 Cu4 Te8]'
_cell_volume [501.8624]
_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  2  0.1881  0.5000  0.3705  1.0
  Tl  Tl1  2  0.3549  0.5000  0.0268  1.0
  Cu  Cu2  2  0.0115  0.0000  0.7667  1.0
  Cu  Cu3  2  0.1051  0.5000  0.7509  1.0
  Te  Te4  2  0.0056  0.5000  0.0312  1.0
  Te  Te5  2  0.1826  0.0000  0.8520  1.0
  Te  Te6  2  0.3075  0.0000  0.6311  1.0
  Te  Te7  2  0.4845  0.0000  0.5101  1.0
]