data_[Zn8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6927]
_cell_length_b [19.5218]
_cell_length_c [19.5218]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnTe]
_chemical_formula_sum '[Zn8 Te8]'
_cell_volume [1878.8459]
_cell_formula_units_Z [8]
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
[
  Zn  Zn0  1  0.0729  0.3125  0.4491  1
  Zn  Zn1  1  0.2534  0.4901  0.6114  1
  Zn  Zn2  1  0.3262  0.6603  0.5917  1
  Zn  Zn3  1  0.3740  0.4697  0.3769  1
  Zn  Zn4  1  0.7058  0.6625  0.6612  1
  Zn  Zn5  1  0.7409  0.6553  0.5298  1
  Zn  Zn6  1  0.7416  0.4465  0.5836  1
  Zn  Zn7  1  0.8904  0.4903  0.3097  1
  Te  Te8  1  0.0671  0.5240  0.5070  1
  Te  Te9  1  0.0704  0.3629  0.6020  1
  Te  Te10  1  0.1699  0.3806  0.2434  1
  Te  Te11  1  0.3986  0.2348  0.3530  1
  Te  Te12  1  0.5792  0.5708  0.7152  1
  Te  Te13  1  0.5898  0.5982  0.3853  1
  Te  Te14  1  0.6606  0.3754  0.4247  1
  Te  Te15  1  0.9905  0.7662  0.6559  1
]