data_SrFePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFePb2
_chemical_formula_sum   'Sr1 Fe1 Pb2'
_cell_volume   101.52
_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  0.33  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.67  0.71  0.22  1.0
  Pb  Pb2  1  0.67  0.29  0.22  1.0

data_SrFePb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.45
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrFePb2
_chemical_formula_sum   'Sr1 Fe1 Pb2'
_cell_volume   101.56
_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
  Sr  Sr0  1  0.0  0.0  0.33  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.22  0.29  0.67  1.0

Sr Fe Pb Pb
Sr Fe Pb Pb 0 1 o o o 0 2 o - o 0 3 o o o 1 2 - - o 1 3 - o o 2 3 o o o 