data_Sr2AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlPb
_chemical_formula_sum   'Sr2 Al1 Pb1'
_cell_volume   129.61
_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  Sr2  1  0.58  0.0  0.03  1.0
  Sr  Sr3  1  0.58  0.0  0.27  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.65  1.0

data_Sr2AlPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlPb
_chemical_formula_sum   'Sr2 Al1 Pb1'
_cell_volume   129.61
_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  Sr0  1  0.58  0.0  0.03  1.0
  Sr  Sr1  1  0.58  0.0  0.27  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.65  1.0

Sr Sr Al Pb
Sr Sr Al Pb 0 2 + o o 0 1 o o o 0 3 + o - 0 3 o o - 1 3 + o o 1 3 o o o 2 3 o o - 3 3 o + o 3 3 + o o 