data_HgBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   5.87
_cell_angle_alpha   110.94
_cell_angle_beta   110.94
_cell_angle_gamma   32.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBrCl2
_chemical_formula_sum   'Hg1 Br1 Cl2'
_cell_volume   137.1
_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
  Hg  Hg3  1  0.92  0.0  0.39  1.0
  Br  Br0  1  0.4  0.0  0.79  1.0
  Cl  Cl1  1  0.76  0.0  0.25  1.0
  Cl  Cl2  1  0.46  0.0  0.74  1.0

data_HgBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.87
_cell_length_c   6.84
_cell_angle_alpha   110.94
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBrCl2
_chemical_formula_sum   'Hg1 Br1 Cl2'
_cell_volume   137.1
_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
  Hg  Hg0  1  0.0  0.39  0.92  1.0
  Br  Br1  1  0.0  0.79  0.4  1.0
  Cl  Cl2  1  0.0  0.25  0.76  1.0
  Cl  Cl3  1  0.0  0.74  0.46  1.0

Hg Br Cl Cl