data_Na2TaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   155.09
_cell_angle_beta   132.99
_cell_angle_gamma   53.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaIn
_chemical_formula_sum   'Na2 Ta1 In1'
_cell_volume   91.42
_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  Na1  1  0.0  0.66  0.05  1.0
  Na  Na2  1  0.44  0.0  0.91  1.0
  Ta  Ta3  1  0.0  0.0  0.95  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Na2TaIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.33
_cell_length_c   6.68
_cell_angle_alpha   113.51
_cell_angle_beta   102.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaIn
_chemical_formula_sum   'Na2 Ta1 In1'
_cell_volume   91.42
_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  0.0  0.91  0.47  1.0
  Na  Na1  1  0.34  0.38  0.38  1.0
  Ta  Ta2  1  0.0  0.95  0.95  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Na Na Ta In
Na Na Ta In 0 3 o + o 0 2 o + - 0 1 - + - 0 1 o o - 0 1 o + o 0 1 - o 0 0 o + + 1 1 o + + 1 3 o o + 1 3 + o + 1 2 o o o 1 2 + o o 2 3 o o + 
Na2TaIn crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to four equivalent Na(2) and one In(1) atom. There are a spread of Na(1)-Na(2) bond distances ranging from 2.84-3.33 Å. The Na(1)-In(1) bond length is 2.53 Å. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to two equivalent Na(2), four equivalent Na(1), two equivalent Ta(1), and one In(1) atom. Both Na(2)-Na(2) bond lengths are 2.88 Å. There is one shorter (3.17 Å) and one longer (3.78 Å) Na(2)-Ta(1) bond length. The Na(2)-In(1) bond length is 3.35 Å. Ta(1) is bonded in a single-bond geometry to two equivalent Na(2) and one In(1) atom. The Ta(1)-In(1) bond length is 0.31 Å. In(1) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), and one Ta(1) atom.