data_SrAl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   133.17
_cell_angle_beta   133.17
_cell_angle_gamma   68.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Pb
_chemical_formula_sum   'Sr1 Al2 Pb1'
_cell_volume   106.83
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.34  0.0  0.44  1.0
  Al  Al1  1  0.0  0.34  0.44  1.0
  Pb  Pb2  1  0.0  0.0  0.87  1.0

data_SrAl2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   124.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAl2Pb
_chemical_formula_sum   'Sr2 Al4 Pb2'
_cell_volume   213.66
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.23  0.33  0.9  1.0
  Pb  Pb2  2  0.13  0.0  0.13  1.0

Sr Al Al Pb