data_CrNiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   16.9
_cell_angle_beta   16.9
_cell_angle_gamma   16.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiMo2
_chemical_formula_sum   'Cr1 Ni1 Mo2'
_cell_volume   55.62
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.46  1.0
  Mo  Mo1  1  0.0  0.0  0.67  1.0
  Mo  Mo2  1  0.0  0.0  0.24  1.0

data_CrNiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   2.68
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   99.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrNiMo2
_chemical_formula_sum   'Cr2 Ni2 Mo4'
_cell_volume   111.25
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.54  1.0
  Mo  Mo2  2  0.0  0.0  0.33  1.0
  Mo  Mo3  2  0.0  0.0  0.76  1.0

Cr Ni Mo Mo
Cr Ni Mo Mo 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o - 0 3 o o o 1 3 o o o 1 2 o o o 
Mo2CrNi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo2CrNi clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Mo(1)-Ni(1) bond length is 1.98 Å. In the second Mo site, Mo(2) is bonded in a linear geometry to one Cr(1) and one Ni(1) atom. The Mo(2)-Cr(1) bond length is 2.17 Å. The Mo(2)-Ni(1) bond length is 1.98 Å. Cr(1) is bonded in a distorted single-bond geometry to one Mo(2) atom. Ni(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom.