data_NaIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   4.74
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2
_chemical_formula_sum   'Na4 In8'
_cell_volume   318.53
_cell_formula_units_Z   4
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  Na8  1  0.86  0.19  0.01  1.0
  Na  Na9  1  0.57  0.56  0.09  1.0
  Na  Na10  1  0.28  0.19  0.73  1.0
  Na  Na11  1  0.99  0.56  0.82  1.0
  In  In0  1  0.24  0.19  0.35  1.0
  In  In1  1  0.02  0.56  0.26  1.0
  In  In2  1  0.82  0.19  0.57  1.0
  In  In3  1  0.6  0.56  0.48  1.0
  In  In4  1  0.29  0.19  0.97  1.0
  In  In5  1  0.97  0.56  0.06  1.0
  In  In6  1  0.87  0.19  0.76  1.0
  In  In7  1  0.55  0.56  0.85  1.0

data_NaIn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.74
_cell_length_b   6.84
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaIn2
_chemical_formula_sum   'Na4 In8'
_cell_volume   318.53
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.31  0.36  0.82  1.0
  Na  Na1  2  0.31  0.93  0.09  1.0
  In  In2  2  0.31  0.32  0.43  1.0
  In  In3  2  0.31  0.37  0.06  1.0
  In  In4  2  0.31  0.9  0.65  1.0
  In  In5  2  0.31  0.95  0.85  1.0

Na Na Na Na In In In In In In In In
Na Na Na Na In In In In In In In In 0 10 o o - 0 9 o o o 0 1 o o o 0 8 + o - 0 11 o o - 1 8 o o - 1 11 o o - 1 9 o o o 2 10 - o o 2 3 - o o 2 11 o o o 2 8 o o o 3 10 o o o 3 9 o o + 3 8 + o o 3 11 o o o 4 5 o o o 5 9 - o o 6 10 o o o 6 7 o o o 8 9 - o + 8 11 o o o 10 11 o o o 
NaIn2 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to two equivalent In(4) atoms. There is one shorter (2.01 Å) and one longer (2.40 Å) Na(1)-In(4) bond length. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one In(4), two equivalent In(1), and two equivalent In(3) atoms. The Na(2)-In(4) bond length is 2.82 Å. Both Na(2)-In(1) bond lengths are 3.76 Å. There is one shorter (2.40 Å) and one longer (2.86 Å) Na(2)-In(3) bond length. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to two equivalent Na(2), one In(1), and two equivalent In(2) atoms. The In(1)-In(1) bond length is 3.31 Å. There is one shorter (2.45 Å) and one longer (3.44 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded in a 2-coordinate geometry to one In(4) and two equivalent In(1) atoms. The In(2)-In(4) bond length is 1.95 Å. In the third In site, In(3) is bonded in a 1-coordinate geometry to two equivalent Na(2) atoms. In the fourth In site, In(4) is bonded in a 2-coordinate geometry to one Na(2), two equivalent Na(1), and one In(2) atom.