data_Hg3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   6.15
_cell_length_c   9.9
_cell_angle_alpha   52.95
_cell_angle_beta   38.37
_cell_angle_gamma   88.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Ge2
_chemical_formula_sum   'Hg6 Ge4'
_cell_volume   100.04
_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
  Hg  Hg4  1  0.19  0.53  0.99  1.0
  Hg  Hg5  1  0.92  0.13  0.99  1.0
  Hg  Hg6  1  0.16  0.22  0.52  1.0
  Hg  Hg7  1  0.95  0.45  0.52  1.0
  Hg  Hg8  1  0.05  0.83  0.5  1.0
  Hg  Hg9  1  0.03  0.92  0.02  1.0
  Ge  Ge0  1  0.22  0.23  0.87  1.0
  Ge  Ge1  1  0.89  0.43  0.87  1.0
  Ge  Ge2  1  0.24  0.51  0.34  1.0
  Ge  Ge3  1  0.81  0.32  0.34  1.0

data_Hg3Ge2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.11
_cell_length_b   6.15
_cell_length_c   7.9
_cell_angle_alpha   88.69
_cell_angle_beta   82.33
_cell_angle_gamma   80.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Ge2
_chemical_formula_sum   'Hg6 Ge4'
_cell_volume   100.04
_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
  Hg  Hg0  1  0.04  0.88  0.09  1.0
  Hg  Hg1  1  0.38  0.67  0.45  1.0
  Hg  Hg2  1  0.71  0.48  0.82  1.0
  Hg  Hg3  1  0.9  0.27  0.32  1.0
  Hg  Hg4  1  0.91  0.04  0.53  1.0
  Hg  Hg5  1  0.97  0.06  0.95  1.0
  Ge  Ge6  1  0.1  0.14  0.41  1.0
  Ge  Ge7  1  0.19  0.7  0.24  1.0
  Ge  Ge8  1  0.32  0.9  0.91  1.0
  Ge  Ge9  1  0.47  0.34  0.85  1.0

Hg Hg Hg Hg Hg Hg Ge Ge Ge Ge
Hg Hg Hg Hg Hg Hg Ge Ge Ge Ge 0 9 - o + 1 7 o o o 1 5 + - + 1 6 + o o 2 8 o o o 3 8 + o o 4 4 + + - 4 7 - o o 4 7 o + - 5 6 o + - 