data_MoPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPOs2
_chemical_formula_sum   'Mo1 P1 Os2'
_cell_volume   57.53
_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
  Mo  Mo0  1  0.84  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.42  0.23  0.43  1.0
  Os  Os2  1  0.42  0.77  0.43  1.0

data_MoPOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   102.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPOs2
_chemical_formula_sum   'Mo1 P1 Os2'
_cell_volume   57.53
_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
  Mo  Mo0  1  0.0  0.84  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.43  0.42  0.23  1.0
  Os  Os3  1  0.43  0.42  0.77  1.0

Mo P Os Os
Mo P Os Os 0 1 + o o 0 2 o o o 0 3 o - o 0 3 o - - 1 2 o o o 1 2 o o - 1 3 o - o 2 3 o o o 2 3 o - o 
MoOs2P crystallizes in the triclinic P1 space group. Mo(1) is bonded in a distorted single-bond geometry to two equivalent Os(1), two equivalent Os(2), and one P(1) atom. There is one shorter (2.66 Å) and one longer (2.86 Å) Mo(1)-Os(1) bond length. There is one shorter (2.32 Å) and one longer (2.54 Å) Mo(1)-Os(2) bond length. The Mo(1)-P(1) bond length is 0.74 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1), two equivalent Os(1), two equivalent Os(2), and two equivalent P(1) atoms. Both Os(1)-Os(1) bond lengths are 2.87 Å. There is one shorter (2.09 Å) and one longer (2.44 Å) Os(1)-Os(2) bond length. There is one shorter (2.32 Å) and one longer (2.54 Å) Os(1)-P(1) bond length. In the second Os site, Os(2) is bonded in a 8-coordinate geometry to two equivalent Mo(1), two equivalent Os(1), two equivalent Os(2), and two equivalent P(1) atoms. Both Os(2)-Os(2) bond lengths are 2.87 Å. There is one shorter (2.66 Å) and one longer (2.86 Å) Os(2)-P(1) bond length. P(1) is bonded in a single-bond geometry to one Mo(1), two equivalent Os(1), and two equivalent Os(2) atoms.