data_Zr2NbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbIn
_chemical_formula_sum   'Zr2 Nb1 In1'
_cell_volume   95.09
_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
  Zr  Zr2  1  0.61  0.28  0.61  1.0
  Zr  Zr3  1  0.61  0.72  0.61  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.23  0.0  0.0  1.0

data_Zr2NbIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   109.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NbIn
_chemical_formula_sum   'Zr2 Nb1 In1'
_cell_volume   95.09
_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
  Zr  Zr0  1  0.61  0.61  0.72  1.0
  Zr  Zr1  1  0.61  0.61  0.28  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.23  0.0  1.0

Zr Zr Nb In
Zr2NbIn crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 1-coordinate geometry to two equivalent Zr(2) and one In(1) atom. There is one shorter (2.44 Å) and one longer (3.15 Å) Zr(1)-Zr(2) bond length. The Zr(1)-In(1) bond length is 2.53 Å. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Nb(1), and two equivalent In(1) atoms. Both Zr(2)-Zr(2) bond lengths are 3.23 Å. There is one shorter (2.53 Å) and one longer (2.96 Å) Zr(2)-Nb(1) bond length. There is one shorter (3.31 Å) and one longer (3.65 Å) Zr(2)-In(1) bond length. Nb(1) is bonded in a 1-coordinate geometry to two equivalent Zr(2) and one In(1) atom. The Nb(1)-In(1) bond length is 1.28 Å. In(1) is bonded in a 1-coordinate geometry to one Zr(1), two equivalent Zr(2), and one Nb(1) atom.