data_SiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   8.17
_cell_angle_alpha   99.7
_cell_angle_beta   99.7
_cell_angle_gamma   29.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2
_chemical_formula_sum   'Si2 Hg4'
_cell_volume   143.4
_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
  Si  Si4  1  0.82  0.0  0.15  1.0
  Si  Si5  1  0.95  0.0  0.72  1.0
  Hg  Hg0  1  0.52  0.0  0.33  1.0
  Hg  Hg1  1  0.94  0.0  0.09  1.0
  Hg  Hg2  1  0.29  0.0  0.67  1.0
  Hg  Hg3  1  0.75  0.0  0.82  1.0

data_SiHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   6.03
_cell_length_c   8.17
_cell_angle_alpha   99.7
_cell_angle_beta   90.0
_cell_angle_gamma   104.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2
_chemical_formula_sum   'Si2 Hg4'
_cell_volume   143.4
_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
  Si  Si0  1  0.0  0.05  0.28  1.0
  Si  Si1  1  0.0  0.18  0.85  1.0
  Hg  Hg2  1  0.0  0.06  0.91  1.0
  Hg  Hg3  1  0.0  0.25  0.18  1.0
  Hg  Hg4  1  0.0  0.48  0.67  1.0
  Hg  Hg5  1  0.0  0.71  0.33  1.0

Si Si Hg Hg Hg Hg
Si Si Hg Hg Hg Hg 0 3 o o o 0 2 o o o 1 5 o o o 1 4 + o o 2 2 + - o 