data_Na2InSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InSi
_chemical_formula_sum   'Na2 In1 Si1'
_cell_volume   93.2
_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  0.54  0.54  0.6  1.0
  Na  Na2  1  0.54  0.54  0.21  1.0
  In  In0  1  0.0  0.0  0.91  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Na2InSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2InSi
_chemical_formula_sum   'Na4 In2 Si2'
_cell_volume   186.4
_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
  Na  Na0  2  0.04  0.5  0.21  1.0
  Na  Na1  2  0.04  0.5  0.6  1.0
  In  In2  2  0.0  0.0  0.91  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Na Na In Si
Na Na In Si 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 + + - 2 3 o o + 
Na2InSi crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one Na(2), four equivalent Na(1), and four equivalent In(1) atoms. The Na(1)-Na(2) bond length is 3.85 Å. All Na(1)-Na(1) bond lengths are 3.08 Å. There are a spread of Na(1)-In(1) bond distances ranging from 3.59-3.80 Å. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one Na(1) and four equivalent Si(1) atoms. There are a spread of Na(2)-Si(1) bond distances ranging from 2.88-3.13 Å. In(1) is bonded in a single-bond geometry to four equivalent Na(1) and one Si(1) atom. The In(1)-Si(1) bond length is 0.91 Å. Si(1) is bonded in a single-bond geometry to four equivalent Na(2) and one In(1) atom.