# generated using pymatgen
data_HgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74307686
_cell_length_b   4.74307745
_cell_length_c   6.56366870
_cell_angle_alpha   111.16652371
_cell_angle_beta   111.16652698
_cell_angle_gamma   90.01247913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBr
_chemical_formula_sum   'Hg2 Br2'
_cell_volume   126.95326348
_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  1  0.88496086  0.88496086  0.76992729  1.0
  Hg  Hg1  1  0.11503914  0.11503914  0.23007371  1.0
  Br  Br2  1  0.65673047  0.65673047  0.31300601  1.0
  Br  Br3  1  0.34326953  0.34326953  0.68699299  1.0