data_[Cu4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [8.6023]
_cell_length_b [4.3960]
_cell_length_c [13.2950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuHgTe2]
_chemical_formula_sum '[Cu4 Hg4 Te8]'
_cell_volume [442.1990]
_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
[
  Cu  Cu0  4  0.2324  0.5741  0.2069  1
  Hg  Hg1  4  0.1142  0.5612  0.8487  1
  Te  Te2  4  0.2061  0.0590  0.0942  1
  Te  Te3  4  0.4620  0.1597  0.8937  1
]