data_AlPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   35.85
_cell_angle_beta   35.85
_cell_angle_gamma   35.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPdPb2
_chemical_formula_sum   'Al1 Pd1 Pb2'
_cell_volume   104.23
_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
  Al  Al0  1  0.0  0.0  0.52  1.0
  Pd  Pd3  1  0.0  0.0  1.0  1.0
  Pb  Pb1  1  0.0  0.0  0.63  1.0
  Pb  Pb2  1  0.0  0.0  0.34  1.0

data_AlPdPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.44
_cell_length_b   4.3
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   110.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlPdPb2
_chemical_formula_sum   'Al2 Pd2 Pb4'
_cell_volume   208.46
_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
  Al  Al0  2  0.0  0.0  0.48  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.66  1.0
  Pb  Pb3  2  0.0  0.0  0.37  1.0

Al Pd Pb Pb