data_NbCr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Cu
_chemical_formula_sum   'Nb1 Cr2 Cu1'
_cell_volume   53.98
_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  0.45  0.45  0.89  1.0
  Cr  Cr0  1  0.0  0.0  0.27  1.0
  Cr  Cr1  1  0.45  0.45  0.48  1.0
  Cu  Cu2  1  0.0  0.0  0.01  1.0

data_NbCr2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCr2Cu
_chemical_formula_sum   'Nb2 Cr4 Cu2'
_cell_volume   107.96
_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
  Nb  Nb0  2  0.45  0.0  0.89  1.0
  Cr  Cr1  2  0.0  0.0  0.27  1.0
  Cr  Cr2  2  0.45  0.0  0.48  1.0
  Cu  Cu3  2  0.0  0.0  0.01  1.0

Nb Cr Cr Cu
NbCr2Cu crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 5-coordinate geometry to one Cr(2) and four equivalent Cu(1) atoms. The Nb(1)-Cr(2) bond length is 2.63 Å. There are a spread of Nb(1)-Cu(1) bond distances ranging from 2.01-2.40 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to four equivalent Cr(2) and one Cu(1) atom. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.29-2.63 Å. The Cr(1)-Cu(1) bond length is 1.63 Å. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to one Nb(1), four equivalent Cr(1), and four equivalent Cr(2) atoms. All Cr(2)-Cr(2) bond lengths are 2.90 Å. Cu(1) is bonded in a 5-coordinate geometry to four equivalent Nb(1) and one Cr(1) atom.