data_HgGeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   7.84
_cell_length_c   3.37
_cell_angle_alpha   81.62
_cell_angle_beta   73.96
_cell_angle_gamma   24.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGeBi
_chemical_formula_sum   'Hg1 Ge1 Bi1'
_cell_volume   81.75
_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  Hg2  1  0.96  0.74  0.3  1.0
  Ge  Ge1  1  0.96  0.74  0.1  1.0
  Bi  Bi0  1  0.96  0.74  0.96  1.0

data_HgGeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.93
_cell_length_b   15.18
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   125.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgGeBi
_chemical_formula_sum   'Hg2 Ge2 Bi2'
_cell_volume   163.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.5  0.5  0.74  1.0
  Ge  Ge1  2  0.2  0.0  0.94  1.0
  Bi  Bi2  2  0.33  0.0  0.07  1.0

Hg Ge Bi
Hg Ge Bi 0 1 o o o 1 2 o o - 