data_Na2InSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   126.18
_cell_angle_beta   126.18
_cell_angle_gamma   79.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InSi
_chemical_formula_sum   'Na2 In1 Si1'
_cell_volume   91.59
_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  0.0  0.0  1.0
  Na  Na2  1  0.38  0.0  0.02  1.0
  In  In0  1  0.0  0.38  0.02  1.0
  Si  Si3  1  0.0  0.0  0.04  1.0

data_Na2InSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.26
_cell_angle_alpha   116.91
_cell_angle_beta   116.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InSi
_chemical_formula_sum   'Na2 In1 Si1'
_cell_volume   91.59
_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  0.0  0.0  1.0
  Na  Na1  1  0.98  0.0  0.36  1.0
  In  In2  1  0.36  0.38  0.36  1.0
  Si  Si3  1  0.96  0.0  0.96  1.0

Na Na In Si
Na2InSi 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 one Na(2), one In(1), and one Si(1) atom. The Na(1)-Na(2) bond length is 1.94 Å. The Na(1)-In(1) bond length is 1.94 Å. The Na(1)-Si(1) bond length is 0.21 Å. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one Na(1), three equivalent In(1), and one Si(1) atom. There is one shorter (2.56 Å) and two longer (3.46 Å) Na(2)-In(1) bond lengths. The Na(2)-Si(1) bond length is 3.20 Å. In(1) is bonded in a distorted single-bond geometry to one Na(1) and three equivalent Na(2) atoms. Si(1) is bonded in a single-bond geometry to one Na(1) and one Na(2) atom.