data_TaNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   149.48
_cell_angle_beta   128.77
_cell_angle_gamma   60.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2W
_chemical_formula_sum   'Ta1 Ni2 W1'
_cell_volume   56.44
_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  0.62  1.0
  Ni  Ni0  1  0.0  0.0  0.93  1.0
  Ni  Ni1  1  0.0  0.26  0.37  1.0
  W  W3  1  0.38  0.0  0.15  1.0

data_TaNi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.53
_cell_length_c   5.24
_cell_angle_alpha   115.61
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi2W
_chemical_formula_sum   'Ta1 Ni2 W1'
_cell_volume   56.44
_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  Ta0  1  0.38  0.38  0.38  1.0
  Ni  Ni1  1  0.07  0.07  0.07  1.0
  Ni  Ni2  1  0.63  0.89  0.89  1.0
  W  W3  1  0.23  0.85  0.23  1.0

Ta Ni Ni W
TaWNi2 crystallizes in the triclinic P1 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 1.60 Å. The Ta(1)-Ni(2) bond length is 2.62 Å. W(1) is bonded in a distorted single-bond geometry to one Ni(1) and three equivalent Ni(2) atoms. The W(1)-Ni(1) bond length is 1.55 Å. There are a spread of W(1)-Ni(2) bond distances ranging from 2.16-3.28 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Ta(1), one W(1), and two equivalent Ni(2) atoms. There is one shorter (1.33 Å) and one longer (2.00 Å) Ni(1)-Ni(2) bond length. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one Ta(1), three equivalent W(1), and two equivalent Ni(1) atoms.