data_[Zn4Te4]
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 [P-6m2]
_cell_length_a [7.1752]
_cell_length_b [7.1752]
_cell_length_c [4.1323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [ZnTe]
_chemical_formula_sum '[Zn4 Te4]'
_cell_volume [184.2467]
_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
[
  Zn  Zn0  3  0.3937  0.1969  0.0000  1
  Zn  Zn1  1  0.6667  0.3333  0.5000  1
  Te  Te2  3  0.1534  0.3069  0.5000  1
  Te  Te3  1  0.3333  0.6667  0.0000  1
]