data_HfCr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   144.0
_cell_angle_beta   127.47
_cell_angle_gamma   65.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Mo
_chemical_formula_sum   'Hf1 Cr2 Mo1'
_cell_volume   60.21
_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  Hf2  1  0.0  0.0  0.27  1.0
  Cr  Cr0  1  0.57  0.0  0.03  1.0
  Cr  Cr1  1  0.0  0.25  0.24  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_HfCr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.49
_cell_length_c   5.08
_cell_angle_alpha   116.27
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Mo
_chemical_formula_sum   'Hf1 Cr2 Mo1'
_cell_volume   60.21
_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  0.73  0.73  0.73  1.0
  Cr  Cr1  1  0.54  0.97  0.54  1.0
  Cr  Cr2  1  0.76  0.01  0.01  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Hf Cr Cr Mo
HfMoCr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfMoCr2 cluster. Hf(1) is bonded in a distorted T-shaped geometry to one Mo(1), one Cr(1), and one Cr(2) atom. The Hf(1)-Mo(1) bond length is 1.38 Å. The Hf(1)-Cr(1) bond length is 1.74 Å. The Hf(1)-Cr(2) bond length is 1.38 Å. Mo(1) is bonded in a 1-coordinate geometry to one Hf(1) and one Cr(2) atom. The Mo(1)-Cr(2) bond length is 0.76 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Hf(1) and one Mo(1) atom.