data_NaSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Sn
_chemical_formula_sum   'Na1 Si2 Sn1'
_cell_volume   82.2
_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  Na0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.49  0.24  0.54  1.0
  Si  Si2  1  0.49  0.76  0.54  1.0
  Sn  Sn3  1  0.97  0.0  0.0  1.0

data_NaSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   112.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Sn
_chemical_formula_sum   'Na1 Si2 Sn1'
_cell_volume   82.2
_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  Na0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.54  0.49  0.24  1.0
  Si  Si2  1  0.54  0.49  0.76  1.0
  Sn  Sn3  1  0.0  0.97  0.0  1.0

Na Si Si Sn
Na Si Si Sn 0 3 - o o 0 1 o o o 0 1 o o - 0 2 - - o 0 2 - - - 1 3 - o o 1 3 - o + 1 2 o o o 1 2 o - o 1 1 o o + 2 3 o + o 2 3 o + + 2 2 o o + 
NaSnSi2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to one Sn(1) and two equivalent Si(1) atoms. The Na(1)-Sn(1) bond length is 0.15 Å. There is one shorter (2.80 Å) and one longer (2.95 Å) Na(1)-Si(1) bond length. Sn(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Si(2) atoms. There is one shorter (2.80 Å) and one longer (2.95 Å) Sn(1)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Si(2) atoms. There is one shorter (2.59 Å) and one longer (2.79 Å) Si(1)-Si(2) bond length. In the second Si site, Si(2) is bonded in a distorted square co-planar geometry to two equivalent Sn(1) and two equivalent Si(1) atoms.