data_[Cd4Sn4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4216]
_cell_length_b [4.4216]
_cell_length_c [23.6251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CdSnTe]
_chemical_formula_sum '[Cd4 Sn4 Te4]'
_cell_volume [400.0028]
_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
[
  Cd  Cd0  2  0.3333  0.6667  0.8172  1
  Cd  Cd1  2  0.3333  0.6667  0.9655  1
  Sn  Sn2  2  0.3333  0.6667  0.0999  1
  Sn  Sn3  2  0.3333  0.6667  0.6386  1
  Te  Te4  2  0.3333  0.6667  0.2403  1
  Te  Te5  2  0.3333  0.6667  0.4288  1
]