data_Sn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   8.47
_cell_angle_alpha   98.87
_cell_angle_beta   98.87
_cell_angle_gamma   34.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Os
_chemical_formula_sum   'Sn4 Os2'
_cell_volume   128.56
_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  0.51  0.0  0.14  1.0
  Sn  Sn3  1  0.35  0.0  0.07  1.0
  Sn  Sn4  1  0.05  0.0  0.8  1.0
  Sn  Sn5  1  0.08  0.0  0.36  1.0
  Os  Os0  1  0.02  0.0  0.02  1.0
  Os  Os1  1  0.67  0.0  0.1  1.0

data_Sn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.18
_cell_length_c   8.47
_cell_angle_alpha   98.87
_cell_angle_beta   90.0
_cell_angle_gamma   107.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Os
_chemical_formula_sum   'Sn4 Os2'
_cell_volume   128.56
_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  0.49  0.86  1.0
  Sn  Sn1  1  0.0  0.65  0.93  1.0
  Sn  Sn2  1  0.0  0.92  0.64  1.0
  Sn  Sn3  1  0.0  0.95  0.2  1.0
  Os  Os4  1  0.0  0.33  0.9  1.0
  Os  Os5  1  0.0  0.98  0.98  1.0

Sn Sn Sn Sn Os Os