data_AlPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPdPb2
_chemical_formula_sum   'Al1 Pd1 Pb2'
_cell_volume   92.54
_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  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.01  1.0
  Pb  Pb1  1  0.35  0.0  0.21  1.0
  Pb  Pb2  1  0.35  0.0  0.81  1.0

data_AlPdPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlPdPb2
_chemical_formula_sum   'Al1 Pd1 Pb2'
_cell_volume   92.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.01  1.0
  Pb  Pb2  1  0.35  0.0  0.21  1.0
  Pb  Pb3  1  0.35  0.0  0.81  1.0

Al Pd Pb Pb