data_Ga2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   143.18
_cell_angle_beta   127.24
_cell_angle_gamma   66.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GePb
_chemical_formula_sum   'Ga2 Ge1 Pb1'
_cell_volume   90.51
_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  0.82  0.0  0.18  1.0
  Ga  Ga1  1  0.0  0.56  0.66  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.84  1.0

data_Ga2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.13
_cell_length_c   5.77
_cell_angle_alpha   116.38
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2GePb
_chemical_formula_sum   'Ga2 Ge1 Pb1'
_cell_volume   90.51
_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  0.18  0.35  1.0
  Ga  Ga1  1  0.44  0.1  0.1  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.84  0.84  1.0

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