data_HfCrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrMo2
_chemical_formula_sum   'Hf1 Cr1 Mo2'
_cell_volume   64.27
_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  0.0  0.0  0.37  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.59  0.0  0.76  1.0
  Mo  Mo3  1  0.59  0.0  0.97  1.0

data_HfCrMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrMo2
_chemical_formula_sum   'Hf1 Cr1 Mo2'
_cell_volume   64.27
_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  0.0  0.0  0.37  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.59  0.0  0.76  1.0
  Mo  Mo3  1  0.59  0.0  0.97  1.0

Hf Cr Mo Mo
Hf Cr Mo Mo 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 1 3 - o - 2 3 o o o 
HfMo2Cr crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 9-coordinate geometry to six equivalent Hf(1), two equivalent Mo(1), and one Cr(1) atom. There are four shorter (2.81 Å) and two longer (3.18 Å) Hf(1)-Hf(1) bond lengths. There is one shorter (3.67 Å) and one longer (3.86 Å) Hf(1)-Mo(1) bond length. The Hf(1)-Cr(1) bond length is 3.19 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to two equivalent Hf(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.76 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one Mo(1) and two equivalent Cr(1) atoms. There is one shorter (1.19 Å) and one longer (1.68 Å) Mo(2)-Cr(1) bond length. Cr(1) is bonded in a distorted bent 150 degrees geometry to one Hf(1) and two equivalent Mo(2) atoms.