data_Re4POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4POs
_chemical_formula_sum   'Re4 P1 Os1'
_cell_volume   96.7
_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
  Re  Re2  1  0.73  0.56  0.73  1.0
  Re  Re3  1  0.56  0.73  0.73  1.0
  Re  Re4  1  0.56  0.56  0.56  1.0
  Re  Re5  1  0.73  0.73  0.56  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.82  0.82  0.82  1.0

data_Re4POs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re4POs
_chemical_formula_sum   'Re12 P3 Os3'
_cell_volume   290.1
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Re  Re0  9  0.11  0.06  0.33  1.0
  Re  Re1  3  0.0  0.0  0.44  1.0
  P  P2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.18  1.0

Re Re Re Re P Os
Re Re Re Re P Os 0 1 o o o 0 3 o o o 0 2 o o o 0 4 + o + 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o + + 1 5 o o o 2 3 o o o 3 4 + + o 3 5 o o o 4 5 - - - 
Re4OsP crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to one Re(2), two equivalent Re(1), one Os(1), and one P(1) atom. The Re(1)-Re(2) bond length is 1.53 Å. Both Re(1)-Re(1) bond lengths are 0.88 Å. The Re(1)-Os(1) bond length is 1.96 Å. The Re(1)-P(1) bond length is 2.47 Å. In the second Re site, Re(2) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Os(1) atoms. All Re(2)-Os(1) bond lengths are 3.10 Å. Os(1) is bonded to three equivalent Re(1), three equivalent Re(2), and one P(1) atom to form distorted OsRe6P pentagonal bipyramids that share corners with six equivalent Os(1)Re6P pentagonal bipyramids and corners with three equivalent P(1)Re3Os trigonal pyramids. The Os(1)-P(1) bond length is 2.25 Å. P(1) is bonded to three equivalent Re(1) and one Os(1) atom to form PRe3Os trigonal pyramids that share corners with three equivalent Os(1)Re6P pentagonal bipyramids.