data_SiHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.34
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   36.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHgBi2
_chemical_formula_sum   'Si1 Hg1 Bi2'
_cell_volume   107.93
_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  Si3  1  0.34  0.0  0.17  1.0
  Hg  Hg2  1  0.29  0.0  0.3  1.0
  Bi  Bi0  1  0.46  0.0  0.28  1.0
  Bi  Bi1  1  0.01  0.0  0.49  1.0

data_SiHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.34
_cell_length_c   6.16
_cell_angle_alpha   114.14
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHgBi2
_chemical_formula_sum   'Si1 Hg1 Bi2'
_cell_volume   107.93
_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  0.17  0.34  1.0
  Hg  Hg1  1  0.0  0.3  0.29  1.0
  Bi  Bi2  1  0.0  0.28  0.46  1.0
  Bi  Bi3  1  0.0  0.49  0.01  1.0

Si Hg Bi Bi