data_BaInPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   3.59
_cell_angle_alpha   102.09
_cell_angle_beta   102.09
_cell_angle_gamma   117.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInPb2
_chemical_formula_sum   'Ba1 In1 Pb2'
_cell_volume   137.19
_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  0.55  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.04  0.95  0.64  1.0
  Pb  Pb3  1  0.04  0.05  0.64  1.0

data_BaInPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   6.52
_cell_length_c   6.88
_cell_angle_alpha   116.46
_cell_angle_beta   102.09
_cell_angle_gamma   96.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInPb2
_chemical_formula_sum   'Ba1 In1 Pb2'
_cell_volume   137.19
_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  0.55  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.59  0.95  0.99  1.0
  Pb  Pb3  1  0.69  0.05  0.1  1.0

Ba In Pb Pb