data_BaGaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   4.36
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaPb2
_chemical_formula_sum   'Ba1 Ga1 Pb2'
_cell_volume   130.53
_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
  Ba  Ba0  1  0.98  0.18  0.89  1.0
  Ga  Ga1  1  0.0  0.0  0.07  1.0
  Pb  Pb2  1  0.98  0.18  0.48  1.0
  Pb  Pb3  1  0.0  0.0  0.5  1.0

data_BaGaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.36
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaPb2
_chemical_formula_sum   'Ba1 Ga1 Pb2'
_cell_volume   130.53
_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
  Ba  Ba0  1  0.98  0.18  0.89  1.0
  Ga  Ga1  1  0.0  0.0  0.07  1.0
  Pb  Pb2  1  0.0  0.0  0.5  1.0
  Pb  Pb3  1  0.98  0.18  0.48  1.0

Ba Ga Pb Pb
Ba Ga Pb Pb 0 1 + o + 2 3 + o o 