data_MoPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   147.09
_cell_angle_beta   129.37
_cell_angle_gamma   61.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPOs2
_chemical_formula_sum   'Mo1 P1 Os2'
_cell_volume   56.07
_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  0.19  0.92  1.0
  P  P3  1  0.0  0.0  0.35  1.0
  Os  Os1  1  0.0  0.0  0.03  1.0
  Os  Os2  1  0.45  0.0  0.51  1.0

data_MoPOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.39
_cell_length_c   5.13
_cell_angle_alpha   115.32
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPOs2
_chemical_formula_sum   'Mo1 P1 Os2'
_cell_volume   56.07
_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  0.81  0.72  0.72  1.0
  P  P1  1  0.0  0.35  0.35  1.0
  Os  Os2  1  0.0  0.03  0.03  1.0
  Os  Os3  1  0.0  0.51  0.06  1.0

Mo P Os Os
Mo P Os Os 0 2 o o + 0 3 - o o 1 3 o o o 1 2 o o o 2 3 o o o 2 3 - o - 
MoOs2P crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 1-coordinate geometry to one Os(1), one Os(2), and two equivalent P(1) atoms. The Mo(1)-Os(1) bond length is 1.50 Å. The Mo(1)-Os(2) bond length is 2.22 Å. There is one shorter (2.14 Å) and one longer (2.57 Å) Mo(1)-P(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 2-coordinate geometry to one Mo(1), two equivalent Os(2), and one P(1) atom. There is one shorter (2.05 Å) and one longer (2.34 Å) Os(1)-Os(2) bond length. The Os(1)-P(1) bond length is 1.65 Å. In the second Os site, Os(2) is bonded in a 6-coordinate geometry to one Mo(1), two equivalent Os(1), two equivalent Os(2), and one P(1) atom. Both Os(2)-Os(2) bond lengths are 2.90 Å. The Os(2)-P(1) bond length is 1.91 Å. P(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1), one Os(1), and one Os(2) atom.