data_SiP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2Os
_chemical_formula_sum   'Si1 P2 Os1'
_cell_volume   54.32
_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
  P  P1  1  0.32  0.28  0.5  1.0
  P  P2  1  0.32  0.72  0.5  1.0
  Os  Os0  1  0.64  0.0  0.0  1.0

data_SiP2Os
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.34
_cell_length_b   2.99
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SiP2Os
_chemical_formula_sum   'Si1 P2 Os1'
_cell_volume   54.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  P  P1  1  0.32  0.5  0.28  1.0
  P  P2  1  0.32  0.5  0.72  1.0
  Os  Os3  1  0.64  0.0  0.0  1.0

Si P P Os
OsSiP2 crystallizes in the triclinic P1 space group. Os(1) is bonded in a distorted single-bond geometry to one Si(1) and two equivalent P(2) atoms. The Os(1)-Si(1) bond length is 1.57 Å. There is one shorter (2.17 Å) and one longer (2.19 Å) Os(1)-P(2) bond length. Si(1) is bonded in a 3-coordinate geometry to one Os(1), two equivalent P(1), and two equivalent P(2) atoms. There is one shorter (2.17 Å) and one longer (2.19 Å) Si(1)-P(1) bond length. There is one shorter (2.54 Å) and one longer (2.56 Å) Si(1)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to two equivalent Si(1) and two equivalent P(2) atoms. There is one shorter (1.91 Å) and one longer (2.42 Å) P(1)-P(2) bond length. In the second P site, P(2) is bonded in a 6-coordinate geometry to two equivalent Os(1), two equivalent Si(1), and two equivalent P(1) atoms.