data_SiAg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   5.12
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   91.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Os
_chemical_formula_sum   'Si1 Ag2 Os1'
_cell_volume   63.88
_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  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.61  0.56  0.3  1.0
  Ag  Ag1  1  0.12  0.56  0.1  1.0
  Os  Os2  1  0.37  0.0  0.2  1.0

data_SiAg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.41
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Os
_chemical_formula_sum   'Si1 Ag2 Os1'
_cell_volume   63.88
_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  Si0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.39  0.7  0.44  1.0
  Ag  Ag2  1  0.88  0.9  0.44  1.0
  Os  Os3  1  0.63  0.8  0.0  1.0

Si Ag Ag Os
Si Ag Ag Os 0 3 o o o 1 2 o o o 1 2 + o o 