data_ScNiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   150.53
_cell_angle_beta   134.38
_cell_angle_gamma   55.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiOs2
_chemical_formula_sum   'Sc1 Ni1 Os2'
_cell_volume   59.81
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.92  1.0
  Os  Os1  1  0.41  0.0  0.81  1.0
  Os  Os2  1  0.0  0.15  0.11  1.0

data_ScNiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.3
_cell_length_c   5.55
_cell_angle_alpha   112.81
_cell_angle_beta   104.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiOs2
_chemical_formula_sum   'Sc1 Ni1 Os2'
_cell_volume   59.81
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.08  0.08  0.08  1.0
  Os  Os2  1  0.6  0.19  0.6  1.0
  Os  Os3  1  0.89  0.04  0.04  1.0

Sc Ni Os Os
ScOs2Ni crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 2-coordinate geometry to one Os(2), two equivalent Os(1), and one Ni(1) atom. The Sc(1)-Os(2) bond length is 0.44 Å. There is one shorter (2.64 Å) and one longer (3.33 Å) Sc(1)-Os(1) bond length. The Sc(1)-Ni(1) bond length is 0.45 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Os(1), and one Ni(1) atom. Both Os(1)-Os(1) bond lengths are 2.82 Å. The Os(1)-Ni(1) bond length is 2.74 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Sc(1) atom. Ni(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Os(1) atom.