data_Sn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.64
_cell_length_b   17.64
_cell_length_c   17.64
_cell_angle_alpha   167.02
_cell_angle_beta   167.02
_cell_angle_gamma   18.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Os
_chemical_formula_sum   'Sn8 Os4'
_cell_volume   276.84
_cell_formula_units_Z   4
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  0.0  0.99  0.82  1.0
  Sn  Sn5  1  0.0  0.99  0.59  1.0
  Sn  Sn6  1  0.0  0.0  0.94  1.0
  Sn  Sn7  1  0.0  0.0  0.88  1.0
  Sn  Sn8  1  0.99  0.0  0.77  1.0
  Sn  Sn9  1  0.99  0.0  0.65  1.0
  Sn  Sn10  1  0.0  0.0  0.47  1.0
  Sn  Sn11  1  0.0  0.0  0.35  1.0
  Os  Os0  1  0.0  0.99  0.14  1.0
  Os  Os1  1  0.0  0.99  0.27  1.0
  Os  Os2  1  0.0  0.0  0.26  1.0
  Os  Os3  1  0.0  0.0  0.56  1.0

data_Sn2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   17.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2Os
_chemical_formula_sum   'Sn16 Os8'
_cell_volume   553.67
_cell_formula_units_Z   8
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  0.09  0.5  0.6  1.0
  Sn  Sn1  2  0.15  0.5  0.65  1.0
  Sn  Sn2  2  0.27  0.5  0.77  1.0
  Sn  Sn3  2  0.32  0.5  0.83  1.0
  Sn  Sn4  2  0.35  0.0  0.35  1.0
  Sn  Sn5  2  0.38  0.5  0.88  1.0
  Sn  Sn6  2  0.44  0.5  0.94  1.0
  Sn  Sn7  2  0.47  0.0  0.47  1.0
  Os  Os8  2  0.06  0.5  0.56  1.0
  Os  Os9  2  0.14  0.0  0.15  1.0
  Os  Os10  2  0.26  0.0  0.26  1.0
  Os  Os11  2  0.27  0.0  0.27  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Os Os Os Os