data_Si2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2HgBi
_chemical_formula_sum   'Si2 Hg1 Bi1'
_cell_volume   96.85
_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  Si2  1  0.39  0.0  0.21  1.0
  Si  Si3  1  0.0  0.0  0.11  1.0
  Hg  Hg1  1  0.0  0.0  0.63  1.0
  Bi  Bi0  1  0.39  0.0  0.52  1.0

data_Si2HgBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Si2HgBi
_chemical_formula_sum   'Si2 Hg1 Bi1'
_cell_volume   96.9
_cell_formula_units_Z   1
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
  Si  Si0  1  0.0  0.0  0.11  1.0
  Si  Si1  1  0.39  0.0  0.21  1.0
  Hg  Hg2  1  0.0  0.0  0.63  1.0
  Bi  Bi3  1  0.39  0.0  0.52  1.0

Si Si Hg Bi