data_Hg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   22.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Bi
_chemical_formula_sum   'Hg4 Bi2'
_cell_volume   166.44
_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
  Hg  Hg2  1  0.79  0.0  0.54  1.0
  Hg  Hg3  1  0.0  0.0  0.73  1.0
  Hg  Hg4  1  0.0  0.0  0.45  1.0
  Hg  Hg5  1  0.0  0.0  0.98  1.0
  Bi  Bi0  1  0.79  0.0  0.32  1.0
  Bi  Bi1  1  0.79  0.0  0.73  1.0

data_Hg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.59
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   101.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Bi
_chemical_formula_sum   'Hg4 Bi2'
_cell_volume   166.44
_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
  Hg  Hg0  1  0.02  0.0  0.02  1.0
  Hg  Hg1  1  0.27  0.0  0.27  1.0
  Hg  Hg2  1  0.46  0.79  0.46  1.0
  Hg  Hg3  1  0.55  0.0  0.55  1.0
  Bi  Bi4  1  0.27  0.79  0.27  1.0
  Bi  Bi5  1  0.68  0.79  0.68  1.0

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