data_Ge2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   7.95
_cell_angle_alpha   27.7
_cell_angle_beta   27.7
_cell_angle_gamma   27.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsPb
_chemical_formula_sum   'Ge2 As1 Pb1'
_cell_volume   95.91
_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  0.1  1.0
  Ge  Ge2  1  0.0  0.0  0.82  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.46  1.0

data_Ge2AsPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.59
_cell_length_b   3.81
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge2AsPb
_chemical_formula_sum   'Ge4 As2 Pb2'
_cell_volume   191.83
_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  0.18  1.0
  Ge  Ge1  2  0.0  0.0  0.9  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.54  1.0

Ge Ge As Pb
Ge Ge As Pb 0 2 o o o 0 3 o o o 1 2 o o + 1 3 o o o 