data_NbCrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrCo2
_chemical_formula_sum   'Nb1 Cr1 Co2'
_cell_volume   51.01
_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
  Nb  Nb3  1  0.71  0.0  0.87  1.0
  Cr  Cr2  1  0.0  0.0  0.1  1.0
  Co  Co0  1  0.0  0.0  0.46  1.0
  Co  Co1  1  0.71  0.0  0.81  1.0

data_NbCrCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrCo2
_chemical_formula_sum   'Nb1 Cr1 Co2'
_cell_volume   51.01
_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
  Nb  Nb0  1  0.71  0.0  0.87  1.0
  Cr  Cr1  1  0.0  0.0  0.1  1.0
  Co  Co2  1  0.0  0.0  0.46  1.0
  Co  Co3  1  0.71  0.0  0.81  1.0

Nb Cr Co Co
NbCrCo2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a single-bond geometry to two equivalent Cr(1) and one Co(2) atom. There is one shorter (1.91 Å) and one longer (2.54 Å) Nb(1)-Cr(1) bond length. The Nb(1)-Co(2) bond length is 0.47 Å. Cr(1) is bonded in a 7-coordinate geometry to two equivalent Nb(1), four equivalent Cr(1), and one Co(1) atom. All Cr(1)-Cr(1) bond lengths are 2.59 Å. The Cr(1)-Co(1) bond length is 2.77 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Cr(1), one Co(2), and four equivalent Co(1) atoms. The Co(1)-Co(2) bond length is 2.80 Å. All Co(1)-Co(1) bond lengths are 2.59 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one Nb(1) and one Co(1) atom.