data_GeBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   3.36
_cell_angle_alpha   99.92
_cell_angle_beta   99.92
_cell_angle_gamma   117.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Pb
_chemical_formula_sum   'Ge1 Bi2 Pb1'
_cell_volume   116.41
_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  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.12  0.26  0.59  1.0
  Bi  Bi1  1  0.12  0.74  0.59  1.0
  Pb  Pb3  1  0.35  0.0  0.0  1.0

data_GeBi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   117.09
_cell_angle_beta   99.92
_cell_angle_gamma   99.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Pb
_chemical_formula_sum   'Ge1 Bi2 Pb1'
_cell_volume   116.41
_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  Ge0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.59  0.12  0.26  1.0
  Bi  Bi2  1  0.59  0.12  0.74  1.0
  Pb  Pb3  1  -0.0  0.35  0.0  1.0

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