data_HfTa2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   145.4
_cell_angle_beta   128.19
_cell_angle_gamma   63.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Cr
_chemical_formula_sum   'Hf1 Ta2 Cr1'
_cell_volume   70.1
_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
  Hf  Hf1  1  0.61  0.0  0.46  1.0
  Ta  Ta2  1  0.0  0.0  0.16  1.0
  Ta  Ta3  1  0.0  0.37  0.09  1.0
  Cr  Cr0  1  0.0  0.0  0.68  1.0

data_HfTa2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.73
_cell_length_c   5.42
_cell_angle_alpha   115.91
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Cr
_chemical_formula_sum   'Hf1 Ta2 Cr1'
_cell_volume   70.1
_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
  Hf  Hf0  1  0.15  0.54  0.15  1.0
  Ta  Ta1  1  0.84  0.84  0.84  1.0
  Ta  Ta2  1  0.91  0.28  0.28  1.0
  Cr  Cr3  1  0.32  0.32  0.32  1.0

Hf Ta Ta Cr
HfTa2Cr crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Cr(1) atom. The Hf(1)-Ta(1) bond length is 2.64 Å. The Hf(1)-Cr(1) bond length is 1.66 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one Hf(1), one Ta(2), and two equivalent Cr(1) atoms. The Ta(1)-Ta(2) bond length is 2.33 Å. There is one shorter (2.59 Å) and one longer (2.83 Å) Ta(1)-Cr(1) bond length. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Ta(1) and two equivalent Cr(1) atoms. There is one shorter (1.25 Å) and one longer (1.99 Å) Ta(2)-Cr(1) bond length. Cr(1) is bonded in a 3-coordinate geometry to one Hf(1), two equivalent Ta(1), and two equivalent Ta(2) atoms.