data_Ga2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GePb
_chemical_formula_sum   'Ga2 Ge1 Pb1'
_cell_volume   89.52
_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
  Ga  Ga0  1  0.0  0.0  0.33  1.0
  Ga  Ga1  1  0.77  0.77  0.83  1.0
  Ge  Ge2  1  0.0  0.0  0.18  1.0
  Pb  Pb3  1  0.77  0.77  0.32  1.0

data_Ga2GePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2GePb
_chemical_formula_sum   'Ga4 Ge2 Pb2'
_cell_volume   179.03
_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
  Ga  Ga0  2  0.0  0.0  0.33  1.0
  Ga  Ga1  2  0.27  0.5  0.83  1.0
  Ge  Ge2  2  0.0  0.0  0.18  1.0
  Pb  Pb3  2  0.27  0.5  0.32  1.0

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