data_[Hg2Bi2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8078]
_cell_length_b [7.7827]
_cell_length_c [7.8829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HgBiBr3]
_chemical_formula_sum '[Hg2 Bi2 Br6]'
_cell_volume [392.9914]
_cell_formula_units_Z [2]
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  2  0.4428  0.7500  0.6232  1.0
  Bi  Bi1  2  0.1738  0.2500  0.9875  1.0
  Br  Br2  4  0.0396  0.0006  0.2524  1.0
  Br  Br3  2  0.4917  0.2500  0.8575  1.0
]