data_SnPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   36.63
_cell_angle_beta   36.63
_cell_angle_gamma   36.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPt2Pb
_chemical_formula_sum   'Sn1 Pt2 Pb1'
_cell_volume   96.53
_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
  Sn  Sn3  1  0.0  0.0  0.78  1.0
  Pt  Pt1  1  0.0  0.0  0.32  1.0
  Pt  Pt2  1  0.0  0.0  0.97  1.0
  Pb  Pb0  1  0.0  0.0  0.09  1.0

data_SnPt2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.31
_cell_length_b   4.22
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   111.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnPt2Pb
_chemical_formula_sum   'Sn2 Pt4 Pb2'
_cell_volume   193.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sn  Sn0  2  -0.0  0.0  0.22  1.0
  Pt  Pt1  2  0.0  0.0  0.03  1.0
  Pt  Pt2  2  0.0  0.0  0.68  1.0
  Pb  Pb3  2  -0.0  0.0  0.91  1.0

Sn Pt Pt Pb