data_SrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   4.11
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPb
_chemical_formula_sum   'Sr2 Pb2'
_cell_volume   141.94
_cell_formula_units_Z   2
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  0.42  0.0  0.31  1.0
  Sr  Sr3  1  0.47  0.0  0.54  1.0
  Pb  Pb0  1  0.42  0.06  0.21  1.0
  Pb  Pb1  1  0.47  0.06  0.63  1.0

data_SrPb
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.85
_cell_length_b   4.11
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   SrPb
_chemical_formula_sum   'Sr2 Pb2'
_cell_volume   141.94
_cell_formula_units_Z   2
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
  Sr  Sr0  2  0.12  0.0  0.03  1.0
  Pb  Pb1  2  0.21  0.94  0.03  1.0

Sr Sr Pb Pb
Sr Sr Pb Pb 0 2 o o o 1 3 o o o 