data_GaHgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.19
_cell_angle_alpha   103.9
_cell_angle_beta   103.9
_cell_angle_gamma   110.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgAu2
_chemical_formula_sum   'Ga1 Hg1 Au2'
_cell_volume   79.56
_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  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.1  0.0  0.0  1.0
  Au  Au0  1  0.88  0.78  0.45  1.0
  Au  Au1  1  0.88  0.22  0.45  1.0

data_GaHgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   110.1
_cell_angle_beta   103.9
_cell_angle_gamma   103.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgAu2
_chemical_formula_sum   'Ga1 Hg1 Au2'
_cell_volume   79.56
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.1  0.0  1.0
  Au  Au2  1  0.45  0.88  0.78  1.0
  Au  Au3  1  0.45  0.88  0.22  1.0

Ga Hg Au Au