data_CaNbIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbIn2
_chemical_formula_sum   'Ca1 Nb1 In2'
_cell_volume   94.34
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.36  0.36  0.0  1.0
  In  In1  1  0.0  0.36  0.12  1.0
  In  In2  1  0.36  0.0  0.12  1.0

data_CaNbIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaNbIn2
_chemical_formula_sum   'Ca2 Nb2 In4'
_cell_volume   188.68
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.36  0.0  0.0  1.0
  In  In2  4  0.18  0.18  0.12  1.0

Ca Nb In In
CaNbIn2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaNbIn2 clusters. Ca(1) is bonded in a distorted L-shaped geometry to two equivalent In(1) atoms. Both Ca(1)-In(1) bond lengths are 1.76 Å. Nb(1) is bonded in a distorted L-shaped geometry to two equivalent In(1) atoms. Both Nb(1)-In(1) bond lengths are 1.76 Å. In(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Nb(1) atom.