[CIF]
data_HfHg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53439842
_cell_length_b   5.53439842
_cell_length_c   5.53439842
_cell_angle_alpha   132.27722960
_cell_angle_beta   132.27722960
_cell_angle_gamma   69.79152373
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg2Br
_chemical_formula_sum   'Hf1 Hg2 Br1'
_cell_volume   91.00796090
_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
  Br  Br0  1  0.00000000  -0.00000000  -0.00000000  1
  Hf  Hf1  1  2.23880434  0.00000000  2.26964073  1
  Hg  Hg2  1  0.00000000  -0.00000000  4.53928146  1
  Hg  Hg3  1  -0.00000000  2.23880434  2.26964073  1
[/CIF]
