data_ZrInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.24
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInNi2
_chemical_formula_sum   'Zr1 In1 Ni2'
_cell_volume   66.01
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.95  0.0  0.12  1.0
  Ni  Ni1  1  0.51  0.62  0.83  1.0
  Ni  Ni2  1  0.65  0.62  0.41  1.0

data_ZrInNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.27
_cell_length_c   6.24
_cell_angle_alpha   90.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInNi2
_chemical_formula_sum   'Zr1 In1 Ni2'
_cell_volume   66.01
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.05  0.88  1.0
  Ni  Ni2  1  0.38  0.35  0.59  1.0
  Ni  Ni3  1  0.38  0.49  0.17  1.0

Zr In Ni Ni
Zr In Ni Ni 0 1 - o o 0 2 o o - 0 2 o - - 0 2 - o - 0 2 - - - 0 3 - - o 1 2 + - - 1 2 o - - 1 3 + - o 1 3 o o o 1 3 o - o 2 3 o o o 3 3 + o o 3 3 o + o 
ZrNi2In crystallizes in the triclinic P1 space group. Zr(1) is bonded in a single-bond geometry to two equivalent Ni(1) and one In(1) atom. There is one shorter (2.27 Å) and one longer (2.34 Å) Zr(1)-Ni(1) bond length. The Zr(1)-In(1) bond length is 0.77 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 2.68 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Ni(1) and three equivalent In(1) atoms. There are a spread of Ni(2)-In(1) bond distances ranging from 2.40-3.15 Å. In(1) is bonded in a single-bond geometry to one Zr(1) and three equivalent Ni(2) atoms.