data_Ga3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   9.3
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Hg
_chemical_formula_sum   'Ga12 Hg4'
_cell_volume   332.33
_cell_formula_units_Z   4
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  0.82  0.98  0.55  1.0
  Ga  Ga1  1  0.29  0.33  0.49  1.0
  Ga  Ga2  1  0.78  0.98  0.39  1.0
  Ga  Ga3  1  0.26  0.33  0.34  1.0
  Ga  Ga4  1  0.66  0.05  0.83  1.0
  Ga  Ga5  1  0.38  0.25  0.89  1.0
  Ga  Ga6  1  0.7  0.6  0.99  1.0
  Ga  Ga7  1  0.41  0.7  0.05  1.0
  Ga  Ga8  1  0.41  0.25  0.05  1.0
  Ga  Ga9  1  0.7  0.05  0.99  1.0
  Ga  Ga10  1  0.38  0.7  0.89  1.0
  Ga  Ga11  1  0.66  0.6  0.83  1.0
  Hg  Hg12  1  0.94  0.98  0.49  1.0
  Hg  Hg13  1  0.17  0.33  0.54  1.0
  Hg  Hg14  1  0.9  0.98  0.34  1.0
  Hg  Hg15  1  0.13  0.33  0.4  1.0

data_Ga3Hg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.88
_cell_length_b   6.07
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga3Hg
_chemical_formula_sum   'Ga12 Hg4'
_cell_volume   332.33
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.05  0.26  0.17  1.0
  Ga  Ga1  2  0.11  0.78  0.83  1.0
  Ga  Ga2  2  0.39  0.62  0.45  1.0
  Ga  Ga3  2  0.39  0.62  0.9  1.0
  Ga  Ga4  2  0.45  0.34  0.1  1.0
  Ga  Ga5  2  0.45  0.34  0.55  1.0
  Hg  Hg6  2  0.04  0.9  0.83  1.0
  Hg  Hg7  2  0.1  0.13  0.17  1.0

Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Hg Hg Hg Hg
Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Hg Hg Hg Hg 0 2 o o o 0 12 o o o 1 3 o o o 1 13 o o o 2 14 o o o 3 15 o o o 4 9 o o o 5 8 o o + 6 11 o o o 7 10 o o - 12 14 o o o 13 15 o o o 