data_[Zn4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [7.8147]
_cell_length_b [9.0678]
_cell_length_c [7.4427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [ZnHgTe2]
_chemical_formula_sum '[Zn4 Hg4 Te8]'
_cell_volume [527.4026]
_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  4  0.0803  0.8744  0.0002  1.0
  Hg  Hg1  4  0.0880  0.3759  0.9981  1.0
  Te  Te2  4  0.0704  0.8862  0.6395  1.0
  Te  Te3  4  0.0939  0.3637  0.6120  1.0
]