data_Sn3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   13.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pt2
_chemical_formula_sum   'Sn6 Pt4'
_cell_volume   220.01
_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  Sn4  1  0.2  0.27  0.93  1.0
  Sn  Sn5  1  0.0  0.0  0.28  1.0
  Sn  Sn6  1  0.2  0.27  0.64  1.0
  Sn  Sn7  1  0.0  0.54  0.5  1.0
  Sn  Sn8  1  0.0  0.0  0.85  1.0
  Sn  Sn9  1  0.0  0.54  0.2  1.0
  Pt  Pt0  1  0.0  0.54  0.88  1.0
  Pt  Pt1  1  0.0  0.54  0.68  1.0
  Pt  Pt2  1  0.2  0.27  0.45  1.0
  Pt  Pt3  1  0.2  0.27  0.25  1.0

data_Sn3Pt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   13.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Pt2
_chemical_formula_sum   'Sn6 Pt4'
_cell_volume   220.01
_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  Sn0  1  0.0  0.0  0.28  1.0
  Sn  Sn1  1  0.0  0.0  0.85  1.0
  Sn  Sn2  1  0.0  0.54  0.2  1.0
  Sn  Sn3  1  0.0  0.54  0.5  1.0
  Sn  Sn4  1  0.2  0.27  0.64  1.0
  Sn  Sn5  1  0.2  0.27  0.93  1.0
  Pt  Pt6  1  0.0  0.54  0.68  1.0
  Pt  Pt7  1  0.0  0.54  0.88  1.0
  Pt  Pt8  1  0.2  0.27  0.25  1.0
  Pt  Pt9  1  0.2  0.27  0.45  1.0

Sn Sn Sn Sn Sn Sn Pt Pt Pt Pt
Sn Sn Sn Sn Sn Sn Pt Pt Pt Pt 0 4 o o o 0 6 o o o 1 9 o o o 1 5 o - o 2 7 o o o 3 8 o o o 4 6 o - o 5 9 o o o 