data_Nb5Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   96.1
_cell_angle_beta   96.1
_cell_angle_gamma   141.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Os3
_chemical_formula_sum   'Nb10 Os6'
_cell_volume   273.28
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.0  0.19  0.27  1.0
  Nb  Nb1  1  0.19  0.0  0.27  1.0
  Nb  Nb2  1  0.96  0.87  0.0  1.0
  Nb  Nb3  1  0.24  0.33  0.53  1.0
  Nb  Nb4  1  0.76  0.33  0.0  1.0
  Nb  Nb5  1  0.43  0.87  0.53  1.0
  Nb  Nb6  1  0.06  0.76  0.0  1.0
  Nb  Nb7  1  0.13  0.43  0.53  1.0
  Nb  Nb8  1  0.33  0.76  0.53  1.0
  Nb  Nb9  1  0.87  0.43  0.0  1.0
  Os  Os10  1  0.0  0.0  0.27  1.0
  Os  Os11  1  0.0  0.0  0.8  1.0
  Os  Os12  1  0.81  0.38  0.53  1.0
  Os  Os13  1  0.38  0.81  0.0  1.0
  Os  Os14  1  0.81  0.01  0.0  1.0
  Os  Os15  1  0.38  0.19  0.53  1.0

data_Nb5Os3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   83.9
_cell_angle_beta   70.98
_cell_angle_gamma   70.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Os3
_chemical_formula_sum   'Nb10 Os6'
_cell_volume   273.28
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.23  0.53  0.57  1.0
  Nb  Nb1  1  0.33  -0.0  0.43  1.0
  Nb  Nb2  1  0.33  0.53  0.57  1.0
  Nb  Nb3  1  0.43  -0.0  0.43  1.0
  Nb  Nb4  1  0.73  0.27  0.19  1.0
  Nb  Nb5  1  0.76  -0.0  0.3  1.0
  Nb  Nb6  1  0.8  0.53  0.91  1.0
  Nb  Nb7  1  0.87  -0.0  0.09  1.0
  Nb  Nb8  1  0.9  0.53  0.7  1.0
  Nb  Nb9  1  0.93  0.27  0.81  1.0
  Os  Os10  1  0.01  -0.0  0.81  1.0
  Os  Os11  1  0.2  0.8  0.0  1.0
  Os  Os12  1  0.65  0.53  0.19  1.0
  Os  Os13  1  0.73  0.27  0.0  1.0
  Os  Os14  1  0.81  0.0  0.57  1.0
  Os  Os15  1  0.85  0.53  0.43  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Os Os Os Os Os Os
Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb Os Os Os Os Os Os 0 10 o o o 0 14 - o o 1 10 o o o 1 15 o o o 2 6 + o o 2 11 + + - 2 14 o + o 3 7 o o o 3 15 o o o 4 9 o o o 4 13 o - o 5 8 o o o 5 12 o + o 6 9 - o o 6 13 o o o 7 8 o o o 7 12 - o o 8 12 - o o 9 13 + o o 10 14 - o o 11 14 - o + 12 15 o o o 13 14 o + o 
Nb5Os3 crystallizes in the triclinic P1 space group. There are ten inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted L-shaped geometry to one Nb(4), one Os(1), and one Os(5) atom. The Nb(1)-Nb(4) bond length is 2.12 Å. The Nb(1)-Os(1) bond length is 1.51 Å. The Nb(1)-Os(5) bond length is 1.97 Å. In the second Nb site, Nb(2) is bonded in a distorted L-shaped geometry to one Os(1) and one Os(6) atom. The Nb(2)-Os(1) bond length is 1.51 Å. The Nb(2)-Os(6) bond length is 1.97 Å. In the third Nb site, Nb(3) is bonded in a 4-coordinate geometry to one Nb(7), one Os(1), one Os(2), and one Os(5) atom. The Nb(3)-Nb(7) bond length is 1.53 Å. The Nb(3)-Os(1) bond length is 2.08 Å. The Nb(3)-Os(2) bond length is 1.89 Å. The Nb(3)-Os(5) bond length is 2.09 Å. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(8), one Os(1), one Os(6), and two equivalent Os(2) atoms. The Nb(4)-Nb(8) bond length is 1.53 Å. The Nb(4)-Os(1) bond length is 2.20 Å. The Nb(4)-Os(6) bond length is 2.09 Å. There is one shorter (2.95 Å) and one longer (3.60 Å) Nb(4)-Os(2) bond length. In the fifth Nb site, Nb(5) is bonded in a 2-coordinate geometry to one Nb(10) and one Os(4) atom. The Nb(5)-Nb(10) bond length is 0.53 Å. The Nb(5)-Os(4) bond length is 2.47 Å. In the sixth Nb site, Nb(6) is bonded in a 2-coordinate geometry to one Nb(9) and one Os(3) atom. The Nb(6)-Nb(9) bond length is 0.53 Å. The Nb(6)-Os(3) bond length is 2.47 Å. In the seventh Nb site, Nb(7) is bonded in a 3-coordinate geometry to one Nb(10), one Nb(3), and one Os(4) atom. The Nb(7)-Nb(10) bond length is 1.65 Å. The Nb(7)-Os(4) bond length is 2.18 Å. In the eighth Nb site, Nb(8) is bonded in a 3-coordinate geometry to one Nb(4), one Nb(9), and one Os(3) atom. The Nb(8)-Nb(9) bond length is 1.65 Å. The Nb(8)-Os(3) bond length is 2.18 Å. In the ninth Nb site, Nb(9) is bonded in a 1-coordinate geometry to one Nb(6), one Nb(8), and one Os(3) atom. The Nb(9)-Os(3) bond length is 2.47 Å. In the tenth Nb site, Nb(10) is bonded in a 1-coordinate geometry to one Nb(5), one Nb(7), and one Os(4) atom. The Nb(10)-Os(4) bond length is 2.47 Å. There are six inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(2), one Nb(3), and one Nb(4) atom. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Nb(3) and two equivalent Nb(4) atoms. In the third Os site, Os(3) is bonded in a 4-coordinate geometry to one Nb(6), one Nb(8), one Nb(9), and one Os(6) atom. The Os(3)-Os(6) bond length is 2.37 Å. In the fourth Os site, Os(4) is bonded in a 3-coordinate geometry to one Nb(10), one Nb(5), and one Nb(7) atom. In the fifth Os site, Os(5) is bonded in a distorted L-shaped geometry to one Nb(1) and one Nb(3) atom. In the sixth Os site, Os(6) is bonded in a distorted L-shaped geometry to one Nb(2), one Nb(4), and one Os(3) atom.