data_SrGaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   3.59
_cell_angle_alpha   100.69
_cell_angle_beta   100.69
_cell_angle_gamma   116.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaPb2
_chemical_formula_sum   'Sr1 Ga1 Pb2'
_cell_volume   123.52
_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  0.36  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.04  0.74  0.68  1.0
  Pb  Pb2  1  0.04  0.26  0.68  1.0

data_SrGaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   6.39
_cell_length_c   6.42
_cell_angle_alpha   116.41
_cell_angle_beta   100.69
_cell_angle_gamma   100.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaPb2
_chemical_formula_sum   'Sr1 Ga1 Pb2'
_cell_volume   123.52
_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  Sr0  1  -0.0  0.0  0.36  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.42  0.74  0.78  1.0
  Pb  Pb3  1  0.94  0.26  0.3  1.0

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