data_[Hg8Te4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [10.4808]
_cell_length_b [7.9866]
_cell_length_c [9.7703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg2TeBr2]
_chemical_formula_sum '[Hg8 Te4 Br8]'
_cell_volume [794.7082]
_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
[
  Hg  Hg0  4  0.1715  0.0963  0.5935  1.0
  Hg  Hg1  4  0.4830  0.1177  0.3065  1.0
  Te  Te2  4  0.3657  0.0769  0.8308  1.0
  Br  Br3  4  0.0060  0.7182  0.1058  1.0
  Br  Br4  4  0.3181  0.6105  0.9142  1.0
]