data_NbSn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.07
_cell_angle_alpha   108.94
_cell_angle_beta   108.94
_cell_angle_gamma   35.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Os
_chemical_formula_sum   'Nb1 Sn2 Os1'
_cell_volume   76.74
_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
  Nb  Nb0  1  0.48  0.0  0.19  1.0
  Sn  Sn2  1  0.31  0.0  0.49  1.0
  Sn  Sn3  1  0.18  0.0  0.41  1.0
  Os  Os1  1  0.99  0.0  0.82  1.0

data_NbSn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.07
_cell_length_c   5.3
_cell_angle_alpha   108.94
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Os
_chemical_formula_sum   'Nb1 Sn2 Os1'
_cell_volume   76.74
_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
  Nb  Nb0  1  0.0  0.19  0.48  1.0
  Sn  Sn1  1  0.0  0.41  0.18  1.0
  Sn  Sn2  1  0.0  0.49  0.31  1.0
  Os  Os3  1  0.0  0.82  0.99  1.0

Nb Sn Sn Os
Nb Sn Sn Os 0 2 o o o 0 1 o o o 0 3 - o - 1 2 o o o 1 3 - o o 1 3 - o - 2 3 - o o 2 3 - o - 3 3 + - o 
NbOsSn2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 2-coordinate geometry to four equivalent Os(1) and one Sn(1) atom. There are a spread of Nb(1)-Os(1) bond distances ranging from 2.67-3.74 Å. The Nb(1)-Sn(1) bond length is 1.99 Å. Os(1) is bonded in a 10-coordinate geometry to four equivalent Nb(1), two equivalent Os(1), two equivalent Sn(1), and two equivalent Sn(2) atoms. Both Os(1)-Os(1) bond lengths are 3.19 Å. There is one shorter (2.76 Å) and one longer (3.45 Å) Os(1)-Sn(1) bond length. There is one shorter (2.60 Å) and one longer (2.84 Å) Os(1)-Sn(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted water-like geometry to one Nb(1), two equivalent Os(1), and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 0.63 Å. In the second Sn site, Sn(2) is bonded in a single-bond geometry to two equivalent Os(1) and one Sn(1) atom.