data_SnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPt
_chemical_formula_sum   'Sn2 Pt2'
_cell_volume   77.59
_cell_formula_units_Z   2
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  Sn2  1  0.6  0.65  0.5  1.0
  Sn  Sn3  1  0.6  0.35  0.02  1.0
  Pt  Pt0  1  0.6  0.65  0.94  1.0
  Pt  Pt1  1  0.6  0.35  0.58  1.0

data_SnPt
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   SnPt
_chemical_formula_sum   'Sn2 Pt2'
_cell_volume   77.65
_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, y, -z'
  4  '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  Sn0  2  0.35  0.0  0.76  1.0
  Pt  Pt1  2  0.35  0.0  0.32  1.0

Sn Sn Pt Pt
Sn Sn Pt Pt 0 3 o o o 1 2 o o - 