data_[Tl2Cd1Sb1Te4]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5076]
_cell_length_b [6.6136]
_cell_length_c [7.7704]
_cell_angle_alpha [113.9678]
_cell_angle_beta [114.1845]
_cell_angle_gamma [90.1398]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2CdSbTe4]
_chemical_formula_sum '[Tl2 Cd1 Sb1 Te4]'
_cell_volume [272.9864]
_cell_formula_units_Z [1]
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  1  0.1734  0.8232  0.9965  1.0
  Tl  Tl1  1  0.9135  0.0814  0.4994  1.0
  Cd  Cd2  1  0.7200  0.2777  0.0018  1.0
  Sb  Sb3  1  0.4425  0.5465  0.4966  1.0
  Te  Te4  1  0.1739  0.3439  0.0195  1.0
  Te  Te5  1  0.4324  0.1384  0.5449  1.0
  Te  Te6  1  0.6618  0.8332  0.9841  1.0
  Te  Te7  1  0.8695  0.5686  0.4571  1.0
]