[CIF]
data_BaHg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36574183
_cell_length_b   4.36574183
_cell_length_c   7.27677608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg2Br
_chemical_formula_sum   'Ba1 Hg2 Br1'
_cell_volume   138.69318161
_cell_formula_units_Z   1
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
  Ba  Ba0  1  2.18287092  2.18287092  3.87989725  1
  Br  Br1  1  0.00000000  0.00000000  5.10874557  1
  Hg  Hg2  1  2.18287092  2.18287092  0.37182179  1
  Hg  Hg3  1  0.00000000  0.00000000  1.55469944  1
[/CIF]
