data_GeBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.33
_cell_length_b   11.33
_cell_length_c   11.33
_cell_angle_alpha   17.7
_cell_angle_beta   17.7
_cell_angle_gamma   17.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBiPb2
_chemical_formula_sum   'Ge1 Bi1 Pb2'
_cell_volume   117.32
_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
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.73  1.0
  Pb  Pb2  1  0.0  0.0  0.83  1.0
  Pb  Pb3  1  0.0  0.0  0.63  1.0

data_GeBiPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   3.49
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeBiPb2
_chemical_formula_sum   'Ge2 Bi2 Pb4'
_cell_volume   234.63
_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
  Ge  Ge0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.27  1.0
  Pb  Pb2  2  0.0  0.0  0.17  1.0
  Pb  Pb3  2  0.0  0.0  0.37  1.0

Ge Bi Pb Pb
Ge Bi Pb Pb 0 2 o o - 1 3 o o o 1 2 o o o 