data_HfMnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   139.83
_cell_angle_beta   139.83
_cell_angle_gamma   58.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnCr2
_chemical_formula_sum   'Hf1 Mn1 Cr2'
_cell_volume   55.78
_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  0.49  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.76  0.0  0.24  1.0
  Cr  Cr1  1  0.0  0.76  0.24  1.0

data_HfMnCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   119.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnCr2
_chemical_formula_sum   'Hf2 Mn2 Cr4'
_cell_volume   111.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.49  0.0  0.49  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  4  0.36  0.12  0.48  1.0

Hf Mn Cr Cr
HfCr2Mn crystallizes in the monoclinic Cm space group. Hf(1) is bonded in an L-shaped geometry to two equivalent Cr(1) and one Mn(1) atom. Both Hf(1)-Cr(1) bond lengths are 0.85 Å. The Hf(1)-Mn(1) bond length is 2.63 Å. Cr(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Mn(1) atoms. There is one shorter (2.32 Å) and one longer (3.07 Å) Cr(1)-Mn(1) bond length. Mn(1) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Cr(1) atoms.