data_TaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   149.11
_cell_angle_beta   130.14
_cell_angle_gamma   59.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi
_chemical_formula_sum   'Ta2 Ni2'
_cell_volume   58.13
_cell_formula_units_Z   2
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  0.41  0.12  0.05  1.0
  Ta  Ta3  1  0.0  0.12  0.55  1.0
  Ni  Ni0  1  0.0  0.35  0.28  1.0
  Ni  Ni1  1  0.41  0.88  0.32  1.0

data_TaNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   5.31
_cell_angle_alpha   114.93
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaNi
_chemical_formula_sum   'Ta2 Ni2'
_cell_volume   58.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.75  0.04  1.0
  Ni  Ni1  2  0.26  0.75  0.45  1.0

Ta Ta Ni Ni
Ta Ta Ni Ni 0 2 o - - 0 2 o o o 0 2 + o o 0 1 o o - 0 1 + o o 0 0 o + + 0 3 o - o 0 3 o - - 0 3 o o o 1 2 o o o 1 2 o - o 1 2 o o + 1 1 o + + 1 3 o - o 1 3 o o + 1 3 - - o 2 3 - - - 2 3 - o o 2 3 o - o 2 3 o o + 2 2 o + + 3 3 o + + 
TaNi crystallizes in the triclinic P-1 space group. Ta(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1) and six equivalent Ni(1) atoms. There are a spread of Ta(1)-Ta(1) bond distances ranging from 2.09-2.83 Å. There are a spread of Ta(1)-Ni(1) bond distances ranging from 2.44-3.02 Å. Ni(1) is bonded in a 12-coordinate geometry to six equivalent Ta(1) and six equivalent Ni(1) atoms. There are a spread of Ni(1)-Ni(1) bond distances ranging from 2.42-2.94 Å.