data_[Cu8Hg4Te4Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.5260]
_cell_length_b [7.4385]
_cell_length_c [6.8711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cu2HgTeBr2]
_chemical_formula_sum '[Cu8 Hg4 Te4 Br8]'
_cell_volume [691.3153]
_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  8  0.1762  0.3573  0.2899  1.0
  Hg  Hg1  4  0.0000  0.0219  0.9069  1.0
  Te  Te2  4  0.0000  0.2792  0.1850  1.0
  Br  Br3  8  0.1904  0.3319  0.6507  1.0
]