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 [Cm]
_cell_length_a [15.0323]
_cell_length_b [4.5247]
_cell_length_c [7.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnHgTe2]
_chemical_formula_sum '[Zn4 Hg4 Te8]'
_cell_volume [528.4217]
_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  2  0.0098  0.0000  0.6448  1.0
  Zn  Zn1  2  0.2546  0.5000  0.8841  1.0
  Hg  Hg2  2  0.0053  0.5000  0.1355  1.0
  Hg  Hg3  2  0.2608  0.0000  0.3986  1.0
  Te  Te4  2  0.1911  0.0000  0.7167  1.0
  Te  Te5  2  0.1987  0.5000  0.1889  1.0
  Te  Te6  2  0.4355  0.5000  0.9318  1.0
  Te  Te7  2  0.4546  0.0000  0.4706  1.0
]