data_NbIn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.86
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2Cu
_chemical_formula_sum   'Nb1 In2 Cu1'
_cell_volume   77.12
_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  0.0  0.43  0.83  1.0
  In  In1  1  0.53  0.43  0.33  1.0
  In  In2  1  0.53  0.0  0.45  1.0
  Cu  Cu0  1  0.0  0.0  0.14  1.0

data_NbIn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.86
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2Cu
_chemical_formula_sum   'Nb1 In2 Cu1'
_cell_volume   77.12
_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  -0.0  0.43  0.83  1.0
  In  In1  1  0.53  0.0  0.45  1.0
  In  In2  1  0.53  0.43  0.33  1.0
  Cu  Cu3  1  0.0  0.0  0.14  1.0

Nb In In Cu
NbCuIn2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 1-coordinate geometry to one Cu(1) and four equivalent In(1) atoms. The Nb(1)-Cu(1) bond length is 2.64 Å. There are a spread of Nb(1)-In(1) bond distances ranging from 2.93-3.08 Å. Cu(1) is bonded in a 3-coordinate geometry to one Nb(1), two equivalent In(2), and four equivalent In(1) atoms. There is one shorter (2.16 Å) and one longer (2.29 Å) Cu(1)-In(2) bond length. There are a spread of Cu(1)-In(1) bond distances ranging from 2.72-3.35 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to four equivalent Nb(1), four equivalent Cu(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(1)-In(1) bond lengths are 3.06 Å. There is one shorter (2.20 Å) and one longer (2.84 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and two equivalent In(1) atoms.