data_[Cd4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4517]
_cell_length_b [6.5399]
_cell_length_c [14.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdHgTe2]
_chemical_formula_sum '[Cd4 Hg4 Te8]'
_cell_volume [573.2581]
_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
[
  Cd  Cd0  4  0.2523  0.2440  0.2520  1.0
  Hg  Hg1  4  0.1085  0.7463  0.0954  1.0
  Te  Te2  4  0.1576  0.5361  0.3793  1.0
  Te  Te3  4  0.4161  0.0495  0.6213  1.0
]