data_[Zn4Hg8Te12]
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 [Cc]
_cell_length_a [7.9291]
_cell_length_b [13.7847]
_cell_length_c [7.9285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ZnHg2Te3]
_chemical_formula_sum '[Zn4 Hg8 Te12]'
_cell_volume [817.9907]
_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  0.4884  0.4200  0.4929  1
  Hg  Hg1  4  0.4869  0.2547  0.9926  1
  Hg  Hg2  4  0.4887  0.0841  0.4924  1
  Te  Te3  4  0.3464  0.0847  0.1091  1
  Te  Te4  4  0.3691  0.2602  0.6098  1
  Te  Te5  4  0.3731  0.4259  0.1320  1
]