data_Sr2GaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   5.99
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   100.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaPb
_chemical_formula_sum   'Sr2 Ga1 Pb1'
_cell_volume   151.0
_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  0.8  0.0  0.65  1.0
  Sr  Sr3  1  0.52  1.0  0.7  1.0
  Ga  Ga0  1  0.28  0.0  0.34  1.0
  Pb  Pb1  1  0.05  1.0  0.01  1.0

data_Sr2GaPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.77
_cell_length_b   5.99
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   100.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2GaPb
_chemical_formula_sum   'Sr2 Ga1 Pb1'
_cell_volume   151.0
_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  0.52  0.0  0.7  1.0
  Sr  Sr1  1  0.8  0.0  0.65  1.0
  Ga  Ga2  1  0.28  0.0  0.34  1.0
  Pb  Pb3  1  0.05  0.0  0.01  1.0

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