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 [Pnma]
_cell_length_a [11.7906]
_cell_length_b [4.6685]
_cell_length_c [12.4809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CdHgTe2]
_chemical_formula_sum '[Cd4 Hg4 Te8]'
_cell_volume [687.0087]
_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  0.0375  0.2500  0.3641  1.0
  Hg  Hg1  4  0.1305  0.2500  0.9020  1.0
  Te  Te2  4  0.0039  0.7500  0.8576  1.0
  Te  Te3  4  0.1379  0.7500  0.4574  1.0
]