data_BaAl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   128.59
_cell_angle_beta   128.59
_cell_angle_gamma   75.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2Pb
_chemical_formula_sum   'Ba1 Al2 Pb1'
_cell_volume   117.13
_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  Ba2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.52  0.0  0.3  1.0
  Al  Al1  1  0.0  0.52  0.3  1.0
  Pb  Pb3  1  0.0  0.0  0.6  1.0

data_BaAl2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   127.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaAl2Pb
_chemical_formula_sum   'Ba2 Al4 Pb2'
_cell_volume   234.27
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.46  0.24  0.23  1.0
  Pb  Pb2  2  0.4  0.0  0.4  1.0

Ba Al Al Pb