data_Ga2HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.65
_cell_angle_alpha   108.65
_cell_angle_beta   108.65
_cell_angle_gamma   38.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2HgCl
_chemical_formula_sum   'Ga2 Hg1 Cl1'
_cell_volume   96.06
_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  Ga1  1  0.16  0.0  0.13  1.0
  Ga  Ga2  1  0.05  0.0  0.18  1.0
  Hg  Hg3  1  0.11  0.0  0.66  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ga2HgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.37
_cell_length_c   5.65
_cell_angle_alpha   108.65
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2HgCl
_chemical_formula_sum   'Ga2 Hg1 Cl1'
_cell_volume   96.06
_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  0.84  0.87  1.0
  Ga  Ga1  1  0.0  0.95  0.82  1.0
  Hg  Hg2  1  0.0  0.89  0.34  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ga Ga Hg Cl
Ga Ga Hg Cl 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o + 