data_GaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg
_chemical_formula_sum   'Ga2 Hg2'
_cell_volume   114.07
_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
  Ga  Ga0  1  0.41  0.39  0.24  1.0
  Ga  Ga1  1  0.0  0.79  0.41  1.0
  Hg  Hg2  1  0.41  0.39  0.41  1.0
  Hg  Hg3  1  0.0  0.79  0.24  1.0

data_GaHg
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   8.36
_cell_length_b   4.82
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   GaHg
_chemical_formula_sum   'Ga4 Hg4'
_cell_volume   228.13
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.2  0.0  0.91  1.0
  Hg  Hg1  4  0.2  0.0  0.09  1.0

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