data_[Hg16Te4Br8O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6307]
_cell_length_b [12.3534]
_cell_length_c [8.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg4TeBr2O]
_chemical_formula_sum '[Hg16 Te4 Br8 O4]'
_cell_volume [930.2409]
_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  8  0.0455  0.2443  0.5434  1
  Hg  Hg1  8  0.2107  0.0704  0.3995  1
  Te  Te2  4  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.0000  0.5000  0.0000  1
  Br  Br4  4  0.2500  0.2500  0.0000  1
  O  O5  4  0.2500  0.2500  0.5000  1
]