data_GaHgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   4.32
_cell_angle_alpha   103.33
_cell_angle_beta   103.33
_cell_angle_gamma   34.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgBr2
_chemical_formula_sum   'Ga1 Hg1 Br2'
_cell_volume   114.07
_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
  Ga  Ga2  1  0.09  0.0  0.2  1.0
  Hg  Hg3  1  0.69  0.0  0.06  1.0
  Br  Br0  1  0.02  0.0  0.01  1.0
  Br  Br1  1  0.57  0.0  0.2  1.0

data_GaHgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.32
_cell_length_c   6.91
_cell_angle_alpha   103.33
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgBr2
_chemical_formula_sum   'Ga1 Hg1 Br2'
_cell_volume   114.07
_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
  Ga  Ga0  1  0.0  0.2  0.09  1.0
  Hg  Hg1  1  0.0  0.06  0.69  1.0
  Br  Br2  1  0.0  0.01  0.02  1.0
  Br  Br3  1  0.0  0.2  0.57  1.0

Ga Hg Br Br