data_Sr2LaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   132.1
_cell_angle_beta   132.1
_cell_angle_gamma   70.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaPb
_chemical_formula_sum   'Sr2 La1 Pb1'
_cell_volume   150.36
_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  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.65  0.0  0.67  1.0
  La  La0  1  0.0  0.0  0.35  1.0
  Pb  Pb1  1  0.0  0.65  0.67  1.0

data_Sr2LaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   6.53
_cell_angle_alpha   113.95
_cell_angle_beta   113.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaPb
_chemical_formula_sum   'Sr2 La1 Pb1'
_cell_volume   150.36
_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  0.0  1.0
  Sr  Sr1  1  0.67  0.02  0.02  1.0
  La  La2  1  0.35  0.35  0.35  1.0
  Pb  Pb3  1  0.02  0.67  0.02  1.0

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