data_TaCr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   141.81
_cell_angle_beta   127.86
_cell_angle_gamma   66.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Ni
_chemical_formula_sum   'Ta1 Cr2 Ni1'
_cell_volume   53.04
_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  Ta3  1  0.0  0.11  0.06  1.0
  Cr  Cr0  1  0.0  0.0  0.14  1.0
  Cr  Cr1  1  0.57  0.0  0.87  1.0
  Ni  Ni2  1  0.0  0.0  0.95  1.0

data_TaCr2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.21
_cell_length_c   4.8
_cell_angle_alpha   116.07
_cell_angle_beta   109.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Ni
_chemical_formula_sum   'Ta1 Cr2 Ni1'
_cell_volume   53.04
_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  0.89  0.95  0.95  1.0
  Cr  Cr1  1  0.0  0.14  0.14  1.0
  Cr  Cr2  1  0.0  0.87  0.3  1.0
  Ni  Ni3  1  0.0  0.95  0.95  1.0

Ta Cr Cr Ni
TaCr2Ni crystallizes in the triclinic P1 space group. Ta(1) is bonded in a distorted single-bond geometry to one Cr(1), two equivalent Cr(2), and one Ni(1) atom. The Ta(1)-Cr(1) bond length is 0.84 Å. There is one shorter (1.78 Å) and one longer (3.32 Å) Ta(1)-Cr(2) bond length. The Ta(1)-Ni(1) bond length is 0.33 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Ta(1), two equivalent Cr(2), and one Ni(1) atom. There is one shorter (1.63 Å) and one longer (2.83 Å) Cr(1)-Cr(2) bond length. The Cr(1)-Ni(1) bond length is 0.87 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent Ta(1), two equivalent Cr(1), and two equivalent Ni(1) atoms. There is one shorter (1.85 Å) and one longer (2.99 Å) Cr(2)-Ni(1) bond length. Ni(1) is bonded in a single-bond geometry to one Ta(1), one Cr(1), and two equivalent Cr(2) atoms.