data_BaNbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   139.24
_cell_angle_beta   120.19
_cell_angle_gamma   74.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbPb2
_chemical_formula_sum   'Ba1 Nb1 Pb2'
_cell_volume   128.41
_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  0.0  0.88  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.07  0.78  1.0
  Pb  Pb3  1  0.14  0.0  0.11  1.0

data_BaNbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   6.14
_cell_length_c   6.15
_cell_angle_alpha   119.91
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbPb2
_chemical_formula_sum   'Ba1 Nb1 Pb2'
_cell_volume   128.41
_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  0.12  0.12  0.12  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.04  0.89  0.04  1.0
  Pb  Pb3  1  0.22  0.29  0.29  1.0

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