data_SiAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Os
_chemical_formula_sum   'Si1 As2 Os1'
_cell_volume   63.6
_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
  As  As0  1  0.36  0.86  0.57  1.0
  As  As1  1  0.36  0.14  0.57  1.0
  Os  Os2  1  0.72  0.0  0.0  1.0

data_SiAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   107.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Os
_chemical_formula_sum   'Si1 As2 Os1'
_cell_volume   63.6
_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
  As  As1  1  0.57  0.36  0.86  1.0
  As  As2  1  0.57  0.36  0.14  1.0
  Os  Os3  1  0.0  0.72  0.0  1.0

Si As As Os
Si As As Os 0 3 - o o 1 2 o + o 