data_SiSn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   20.58
_cell_angle_beta   20.58
_cell_angle_gamma   20.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Os
_chemical_formula_sum   'Si1 Sn2 Os1'
_cell_volume   79.87
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.45  1.0
  Sn  Sn3  1  0.0  0.0  0.08  1.0
  Os  Os0  1  0.0  0.0  0.26  1.0

data_SiSn2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   3.23
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   101.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiSn2Os
_chemical_formula_sum   'Si2 Sn4 Os2'
_cell_volume   159.75
_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+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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  -0.0  0.0  0.92  1.0
  Sn  Sn2  2  -0.0  0.0  0.55  1.0
  Os  Os3  2  -0.0  0.0  0.74  1.0

Si Sn Sn Os
Si Sn Sn Os 0 2 o o o 1 3 o o o 2 3 o o o 