data_[Tl8Cd4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.4130]
_cell_length_b [8.3338]
_cell_length_c [8.5492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2CdTe2]
_chemical_formula_sum '[Tl8 Cd4 Te8]'
_cell_volume [739.5663]
_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  0.0639  0.2343  0.0169  1.0
  Tl  Tl1  4  0.3341  0.6849  0.9656  1.0
  Cd  Cd2  4  0.3781  0.0951  0.8328  1.0
  Te  Te3  4  0.1413  0.5703  0.2453  1.0
  Te  Te4  4  0.3853  0.0964  0.1803  1.0
]