data_Sn3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Os
_chemical_formula_sum   'Sn3 Os1'
_cell_volume   85.38
_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  Sn1  1  0.53  0.94  0.69  1.0
  Sn  Sn2  1  0.53  0.06  0.69  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.07  0.0  0.0  1.0

data_Sn3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   106.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3Os
_chemical_formula_sum   'Sn3 Os1'
_cell_volume   85.38
_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  0.69  0.53  0.06  1.0
  Sn  Sn2  1  0.69  0.53  0.94  1.0
  Os  Os3  1  0.0  0.07  0.0  1.0

Sn Sn Sn Os
Sn Sn Sn Os 0 1 o + o 2 3 o o o 