data_Cr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ni
_chemical_formula_sum   'Cr8 Ni4'
_cell_volume   141.43
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.75  1.0
  Cr  Cr2  1  0.33  0.65  0.87  1.0
  Cr  Cr3  1  0.0  0.4  0.62  1.0
  Cr  Cr4  1  0.21  0.7  0.87  1.0
  Cr  Cr5  1  0.46  0.7  0.87  1.0
  Cr  Cr6  1  0.87  0.35  0.62  1.0
  Cr  Cr7  1  0.13  0.35  0.62  1.0
  Ni  Ni8  1  0.0  0.7  0.51  1.0
  Ni  Ni9  1  0.33  0.35  0.26  1.0
  Ni  Ni10  1  0.33  0.35  0.98  1.0
  Ni  Ni11  1  0.0  0.7  0.23  1.0

data_Cr2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ni
_chemical_formula_sum   'Cr8 Ni4'
_cell_volume   141.43
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.75  1.0
  Cr  Cr2  1  0.0  0.4  0.62  1.0
  Cr  Cr3  1  0.13  0.35  0.62  1.0
  Cr  Cr4  1  0.21  0.7  0.87  1.0
  Cr  Cr5  1  0.33  0.65  0.87  1.0
  Cr  Cr6  1  0.46  0.7  0.87  1.0
  Cr  Cr7  1  0.87  0.35  0.62  1.0
  Ni  Ni8  1  0.0  0.7  0.23  1.0
  Ni  Ni9  1  0.0  0.7  0.51  1.0
  Ni  Ni10  1  0.33  0.35  0.26  1.0
  Ni  Ni11  1  0.33  0.35  0.98  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Ni Ni Ni Ni
Cr2Ni crystallizes in the triclinic P1 space group. There are eight inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to one Cr(2), one Ni(2), one Ni(3), and one Ni(4) atom. The Cr(1)-Cr(2) bond length is 1.91 Å. The Cr(1)-Ni(2) bond length is 2.49 Å. The Cr(1)-Ni(3) bond length is 1.60 Å. The Cr(1)-Ni(4) bond length is 2.26 Å. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(8), and one Ni(1) atom. The Cr(2)-Cr(8) bond length is 1.71 Å. The Cr(2)-Ni(1) bond length is 2.26 Å. In the third Cr site, Cr(3) is bonded in a 3-coordinate geometry to one Cr(5), one Cr(6), and one Ni(3) atom. The Cr(3)-Cr(5) bond length is 0.73 Å. The Cr(3)-Cr(6) bond length is 0.52 Å. The Cr(3)-Ni(3) bond length is 1.62 Å. In the fourth Cr site, Cr(4) is bonded in a 2-coordinate geometry to one Cr(7), one Cr(8), and one Ni(1) atom. The Cr(4)-Cr(7) bond length is 0.52 Å. The Cr(4)-Cr(8) bond length is 0.73 Å. The Cr(4)-Ni(1) bond length is 1.62 Å. In the fifth Cr site, Cr(5) is bonded in a single-bond geometry to one Cr(3) and one Ni(4) atom. The Cr(5)-Ni(4) bond length is 2.88 Å. In the sixth Cr site, Cr(6) is bonded in a distorted single-bond geometry to one Cr(3) and one Ni(3) atom. The Cr(6)-Ni(3) bond length is 1.64 Å. In the seventh Cr site, Cr(7) is bonded in a single-bond geometry to one Cr(4) and one Ni(1) atom. The Cr(7)-Ni(1) bond length is 1.64 Å. In the eighth Cr site, Cr(8) is bonded in a distorted single-bond geometry to one Cr(2), one Cr(4), and one Ni(2) atom. The Cr(8)-Ni(2) bond length is 2.88 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one Cr(2), one Cr(4), one Cr(7), and one Ni(4) atom. The Ni(1)-Ni(4) bond length is 2.06 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(8), one Ni(3), and three equivalent Ni(4) atoms. The Ni(2)-Ni(3) bond length is 2.06 Å. There are a spread of Ni(2)-Ni(4) bond distances ranging from 2.64-2.76 Å. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), one Cr(6), and one Ni(2) atom. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one Cr(1), one Cr(5), one Ni(1), and three equivalent Ni(2) atoms.