data_Sn5Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Os3
_chemical_formula_sum   'Sn5 Os3'
_cell_volume   153.66
_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  0.0  1.0
  Sn  Sn4  1  0.7  0.39  0.0  1.0
  Sn  Sn5  1  0.7  0.61  0.0  1.0
  Sn  Sn6  1  0.87  0.0  0.36  1.0
  Sn  Sn7  1  0.95  0.0  0.36  1.0
  Os  Os0  1  0.41  0.0  0.0  1.0
  Os  Os1  1  0.41  0.59  0.36  1.0
  Os  Os2  1  0.41  0.41  0.36  1.0

data_Sn5Os3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   109.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Os3
_chemical_formula_sum   'Sn5 Os3'
_cell_volume   153.66
_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  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.7  0.39  1.0
  Sn  Sn2  1  0.0  0.7  0.61  1.0
  Sn  Sn3  1  0.36  0.87  0.0  1.0
  Sn  Sn4  1  0.36  0.95  0.0  1.0
  Os  Os5  1  0.0  0.41  0.0  1.0
  Os  Os6  1  0.36  0.41  0.41  1.0
  Os  Os7  1  0.36  0.41  0.59  1.0

Sn Sn Sn Sn Sn Os Os Os
Sn Sn Sn Sn Sn Os Os Os 0 4 - o o 0 3 - o o 0 5 o o o 1 2 o o o 1 5 o o o 3 4 o o o 6 7 o o o 