data_NaIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   134.45
_cell_angle_beta   130.32
_cell_angle_gamma   69.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Sb
_chemical_formula_sum   'Na1 In2 Sb1'
_cell_volume   108.41
_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
  Na  Na2  1  0.0  0.0  0.86  1.0
  In  In0  1  0.0  0.0  0.59  1.0
  In  In1  1  0.28  0.0  0.38  1.0
  Sb  Sb3  1  0.0  0.47  0.47  1.0

data_NaIn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.94
_cell_length_c   5.88
_cell_angle_alpha   114.84
_cell_angle_beta   112.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Sb
_chemical_formula_sum   'Na1 In2 Sb1'
_cell_volume   108.41
_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
  Na  Na0  1  0.14  0.14  0.14  1.0
  In  In1  1  0.41  0.41  0.41  1.0
  In  In2  1  0.9  0.62  0.9  1.0
  Sb  Sb3  1  0.53  1.0  1.0  1.0

Na In In Sb
Na In In Sb 0 1 o o o 0 2 o o + 0 3 o - o 0 3 o o + 1 2 o o o 1 3 o - o 2 3 o o o 
NaIn2Sb crystallizes in the triclinic P1 space group. Na(1) is bonded in a 5-coordinate geometry to one In(1), two equivalent In(2), and two equivalent Sb(1) atoms. The Na(1)-In(1) bond length is 1.59 Å. There is one shorter (2.34 Å) and one longer (3.25 Å) Na(1)-In(2) bond length. There is one shorter (2.23 Å) and one longer (2.58 Å) Na(1)-Sb(1) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Sb(1) atoms. There is one shorter (2.68 Å) and one longer (3.27 Å) In(1)-Sb(1) bond length. In the second In site, In(2) is bonded in a 1-coordinate geometry to two equivalent Na(1) and two equivalent Sb(1) atoms. There is one shorter (2.54 Å) and one longer (3.12 Å) In(2)-Sb(1) bond length. Sb(1) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent In(1), and two equivalent In(2) atoms.