data_BaZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   4.74
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnPb2
_chemical_formula_sum   'Ba1 Zn1 Pb2'
_cell_volume   134.7
_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  0.97  0.0  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.08  0.37  0.01  1.0
  Pb  Pb2  1  0.85  0.37  0.29  1.0

data_BaZnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   5.36
_cell_length_c   5.49
_cell_angle_alpha   105.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnPb2
_chemical_formula_sum   'Ba1 Zn1 Pb2'
_cell_volume   134.7
_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  0.0  0.03  0.35  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.63  0.15  0.71  1.0
  Pb  Pb3  1  0.63  0.92  0.99  1.0

Ba Zn Pb Pb
Ba Zn Pb Pb 0 1 + o + 0 3 o o o 1 2 o o o 1 3 - o o 2 3 - o o 