data_SiHg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   5.17
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   102.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Bi
_chemical_formula_sum   'Si1 Hg2 Bi1'
_cell_volume   102.17
_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  0.43  0.0  0.14  1.0
  Hg  Hg1  1  0.01  0.0  0.21  1.0
  Hg  Hg2  1  0.62  0.58  0.4  1.0
  Bi  Bi0  1  0.31  0.58  0.26  1.0

data_SiHg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.17
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   102.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Bi
_chemical_formula_sum   'Si1 Hg2 Bi1'
_cell_volume   102.17
_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  0.43  0.0  0.14  1.0
  Hg  Hg1  1  0.01  0.0  0.21  1.0
  Hg  Hg2  1  0.62  0.58  0.4  1.0
  Bi  Bi3  1  0.31  0.58  0.26  1.0

Si Hg Hg Bi