data_Si7Hg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.71
_cell_length_b   11.71
_cell_length_c   11.71
_cell_angle_alpha   26.04
_cell_angle_beta   26.04
_cell_angle_gamma   26.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7Hg6
_chemical_formula_sum   'Si7 Hg6'
_cell_volume   272.69
_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
  Si  Si6  1  0.0  0.48  0.11  1.0
  Si  Si7  1  0.32  0.76  0.11  1.0
  Si  Si8  1  0.68  0.76  0.11  1.0
  Si  Si9  1  0.0  0.52  0.81  1.0
  Si  Si10  1  0.32  0.24  0.81  1.0
  Si  Si11  1  0.68  0.24  0.81  1.0
  Si  Si12  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.54  1.0
  Hg  Hg1  1  0.0  0.0  0.38  1.0
  Hg  Hg2  1  0.0  0.0  0.07  1.0
  Hg  Hg3  1  0.0  0.0  0.85  1.0
  Hg  Hg4  1  0.0  0.0  0.84  1.0
  Hg  Hg5  1  0.0  0.0  0.08  1.0

data_Si7Hg6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   11.71
_cell_angle_alpha   76.98
_cell_angle_beta   76.98
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si7Hg6
_chemical_formula_sum   'Si7 Hg6'
_cell_volume   272.69
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.24  0.89  0.56  1.0
  Si  Si2  1  0.24  0.89  0.2  1.0
  Si  Si3  1  0.48  0.19  0.33  1.0
  Si  Si4  1  0.52  0.89  0.59  1.0
  Si  Si5  1  0.76  0.19  0.73  1.0
  Si  Si6  1  0.76  0.19  0.37  1.0
  Hg  Hg7  1  0.0  0.15  0.85  1.0
  Hg  Hg8  1  0.0  0.16  0.84  1.0
  Hg  Hg9  1  0.0  0.46  0.54  1.0
  Hg  Hg10  1  0.0  0.62  0.38  1.0
  Hg  Hg11  1  0.0  0.92  0.08  1.0
  Hg  Hg12  1  0.0  0.93  0.07  1.0

Si Si Si Si Si Si Si Hg Hg Hg Hg Hg Hg
Si Si Si Si Si Si Si Hg Hg Hg Hg Hg Hg 0 2 - o o 1 12 o + o 1 9 o + o 3 4 o o o 5 11 + o o 5 10 + o o 6 12 o o o 6 9 o o o 7 8 o o o 9 12 o o o 10 11 o o o 