data_Hg2Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   158.53
_cell_angle_beta   149.52
_cell_angle_gamma   37.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Bi3
_chemical_formula_sum   'Hg2 Bi3'
_cell_volume   149.35
_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
  Hg  Hg3  1  0.0  0.0  0.98  1.0
  Hg  Hg4  1  0.0  0.0  0.63  1.0
  Bi  Bi0  1  0.0  0.0  0.55  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.07  1.0

data_Hg2Bi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.89
_cell_length_c   9.3
_cell_angle_alpha   105.24
_cell_angle_beta   100.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Bi3
_chemical_formula_sum   'Hg2 Bi3'
_cell_volume   149.35
_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
  Hg  Hg0  1  0.0  0.63  0.63  1.0
  Hg  Hg1  1  0.0  0.98  0.98  1.0
  Bi  Bi2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.07  0.07  1.0
  Bi  Bi4  1  0.0  0.55  0.55  1.0

Hg Hg Bi Bi Bi