data_Sr2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   133.47
_cell_angle_beta   133.47
_cell_angle_gamma   67.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PtPb
_chemical_formula_sum   'Sr2 Pt1 Pb1'
_cell_volume   113.43
_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  0.38  0.5  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.38  0.0  0.5  1.0

data_Sr2PtPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.03
_cell_angle_alpha   113.26
_cell_angle_beta   113.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PtPb
_chemical_formula_sum   'Sr2 Pt1 Pb1'
_cell_volume   113.43
_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  0.12  0.5  0.12  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.5  0.12  0.12  1.0

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