data_InGa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.37
_cell_length_b   10.37
_cell_length_c   10.37
_cell_angle_alpha   18.57
_cell_angle_beta   18.57
_cell_angle_gamma   18.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Pb
_chemical_formula_sum   'In1 Ga2 Pb1'
_cell_volume   98.9
_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
  In  In2  1  0.0  0.0  1.0  1.0
  Ga  Ga0  1  0.0  0.0  0.28  1.0
  Ga  Ga1  1  0.0  0.0  0.75  1.0
  Pb  Pb3  1  0.0  0.0  0.84  1.0

data_InGa2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   3.35
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   100.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGa2Pb
_chemical_formula_sum   'In2 Ga4 Pb2'
_cell_volume   197.8
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.25  1.0
  Ga  Ga2  2  0.0  0.0  0.72  1.0
  Pb  Pb3  2  0.0  0.0  0.16  1.0

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