data_ScNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2W
_chemical_formula_sum   'Sc1 Ni2 W1'
_cell_volume   58.41
_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  Sc2  1  0.0  0.0  0.9  1.0
  Ni  Ni0  1  0.0  0.0  0.05  1.0
  Ni  Ni1  1  0.55  0.55  0.34  1.0
  W  W3  1  0.55  0.55  0.87  1.0

data_ScNi2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScNi2W
_chemical_formula_sum   'Sc2 Ni4 W2'
_cell_volume   116.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.9  1.0
  Ni  Ni1  2  0.0  0.0  0.05  1.0
  Ni  Ni2  2  0.05  0.5  0.34  1.0
  W  W3  2  0.05  0.5  0.87  1.0

Sc Ni Ni W
ScWNi2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a distorted single-bond geometry to four equivalent W(1) and one Ni(1) atom. There are a spread of Sc(1)-W(1) bond distances ranging from 2.00-2.40 Å. The Sc(1)-Ni(1) bond length is 0.93 Å. W(1) is bonded in a 4-coordinate geometry to four equivalent Sc(1) and two equivalent Ni(2) atoms. There is one shorter (2.87 Å) and one longer (3.24 Å) W(1)-Ni(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Sc(1) and four equivalent Ni(2) atoms. There are a spread of Ni(1)-Ni(2) bond distances ranging from 2.63-2.94 Å. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to two equivalent W(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. All Ni(2)-Ni(2) bond lengths are 3.09 Å.