data_Ga2HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   130.43
_cell_angle_beta   130.43
_cell_angle_gamma   72.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2HgCl
_chemical_formula_sum   'Ga2 Hg1 Cl1'
_cell_volume   93.88
_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  0.3  0.0  0.21  1.0
  Ga  Ga2  1  0.0  0.3  0.21  1.0
  Hg  Hg3  1  0.0  0.0  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ga2HgCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   126.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2HgCl
_chemical_formula_sum   'Ga4 Hg2 Cl2'
_cell_volume   187.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.35  0.35  0.91  1.0
  Hg  Hg1  2  0.0  0.0  0.42  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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