data_LiAlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   21.95
_cell_angle_beta   21.95
_cell_angle_gamma   21.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlPb2
_chemical_formula_sum   'Li1 Al1 Pb2'
_cell_volume   98.59
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.61  1.0
  Pb  Pb2  1  0.0  0.0  0.78  1.0
  Pb  Pb3  1  0.0  0.0  0.44  1.0

data_LiAlPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   3.54
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   102.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiAlPb2
_chemical_formula_sum   'Li2 Al2 Pb4'
_cell_volume   197.17
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Al  Al1  2  -0.0  0.0  0.39  1.0
  Pb  Pb2  2  -0.0  0.0  0.56  1.0
  Pb  Pb3  2  -0.0  0.0  0.22  1.0

Li Al Pb Pb
Li Al Pb Pb 0 2 o o - 1 3 o o o 1 2 o o o 