data_TaNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2W
_chemical_formula_sum   'Ta1 Ni2 W1'
_cell_volume   55.93
_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
  Ta  Ta2  1  0.0  0.0  0.53  1.0
  Ni  Ni0  1  0.0  0.0  0.13  1.0
  Ni  Ni1  1  0.37  0.37  0.69  1.0
  W  W3  1  0.37  0.37  0.82  1.0

data_TaNi2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaNi2W
_chemical_formula_sum   'Ta2 Ni4 W2'
_cell_volume   111.85
_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
  Ta  Ta0  2  0.0  0.0  0.53  1.0
  Ni  Ni1  2  0.0  0.0  0.13  1.0
  Ni  Ni2  2  0.37  0.0  0.69  1.0
  W  W3  2  0.37  0.0  0.82  1.0

Ta Ni Ni W
TaWNi2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 1-coordinate geometry to one Ni(1) and one Ni(2) atom. The Ta(1)-Ni(1) bond length is 2.94 Å. The Ta(1)-Ni(2) bond length is 1.88 Å. W(1) is bonded in a single-bond geometry to one Ni(2) and four equivalent Ni(1) atoms. The W(1)-Ni(2) bond length is 0.98 Å. There are a spread of W(1)-Ni(1) bond distances ranging from 2.72-3.36 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Ta(1), four equivalent W(1), and four equivalent Ni(1) atoms. All Ni(1)-Ni(1) bond lengths are 2.74 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Ta(1) and one W(1) atom.