The crystal structure described by Na(LiSi2)3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Li(2), one Si(1), one Si(6), two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Si(3), one Si(5), and three equivalent Si(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Si(2), two equivalent Si(5), and three equivalent Si(4) atoms. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and two equivalent Si(6) atoms. There are six inequivalent Si sites. In the first Si site, Si(5) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), one Si(4), one Si(6), and two equivalent Si(2) atoms. In the second Si site, Si(6) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Li(3), one Si(1), one Si(5), and two equivalent Si(3) atoms. In the third Si site, Si(1) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Li(3), one Si(3), one Si(6), and two equivalent Si(4) atoms. In the fourth Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Na(1), one Li(2), one Li(3), three equivalent Li(1), and two equivalent Si(5) atoms. In the fifth Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Na(1), one Li(1), two equivalent Li(3), one Si(1), and two equivalent Si(6) atoms. In the sixth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Na(1), three equivalent Li(2), one Si(5), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Na(LiSi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.800
_cell_length_b   10.320
_cell_length_c   18.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   706.068
_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  Na0  1  0.750  0.250  0.425  1.0
  Na  Na1  1  0.250  0.750  0.575  1.0
  Na  Na2  1  0.250  0.750  0.075  1.0
  Na  Na3  1  0.750  0.250  0.925  1.0
  Li  Li4  1  0.250  0.015  0.932  1.0
  Li  Li5  1  0.750  0.985  0.068  1.0
  Li  Li6  1  0.750  0.515  0.568  1.0
  Li  Li7  1  0.250  0.485  0.432  1.0
  Li  Li8  1  0.250  0.409  0.028  1.0
  Li  Li9  1  0.750  0.591  0.972  1.0
  Li  Li10  1  0.750  0.909  0.472  1.0
  Li  Li11  1  0.250  0.091  0.528  1.0
  Li  Li12  1  0.750  0.939  0.813  1.0
  Li  Li13  1  0.250  0.061  0.187  1.0
  Li  Li14  1  0.250  0.439  0.687  1.0
  Li  Li15  1  0.750  0.561  0.313  1.0
  Si  Si16  1  0.250  0.523  0.197  1.0
  Si  Si17  1  0.750  0.477  0.803  1.0
  Si  Si18  1  0.750  0.023  0.303  1.0
  Si  Si19  1  0.250  0.977  0.697  1.0
  Si  Si20  1  0.250  0.166  0.055  1.0
  Si  Si21  1  0.750  0.834  0.945  1.0
  Si  Si22  1  0.750  0.666  0.445  1.0
  Si  Si23  1  0.250  0.334  0.555  1.0
  Si  Si24  1  0.250  0.359  0.295  1.0
  Si  Si25  1  0.750  0.641  0.705  1.0
  Si  Si26  1  0.750  0.859  0.205  1.0
  Si  Si27  1  0.250  0.141  0.795  1.0
  Si  Si28  1  0.750  0.496  0.118  1.0
  Si  Si29  1  0.250  0.504  0.882  1.0
  Si  Si30  1  0.250  0.996  0.382  1.0
  Si  Si31  1  0.750  0.004  0.618  1.0
  Si  Si32  1  0.750  0.258  0.117  1.0
  Si  Si33  1  0.250  0.742  0.883  1.0
  Si  Si34  1  0.250  0.758  0.383  1.0
  Si  Si35  1  0.750  0.242  0.617  1.0
  Si  Si36  1  0.250  0.741  0.249  1.0
  Si  Si37  1  0.750  0.259  0.751  1.0
  Si  Si38  1  0.750  0.241  0.251  1.0
  Si  Si39  1  0.250  0.759  0.749  1.0
[/CIF]
.
The crystal structure described by Na(LiSi2)3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Li(2), one Si(1), one Si(6), two equivalent Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Si(3), one Si(5), and three equivalent Si(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Si(2), two equivalent Si(5), and three equivalent Si(4) atoms. In the third Li site, Li(3) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and two equivalent Si(6) atoms. There are six inequivalent Si sites. In the first Si site, Si(5) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), one Si(4), one Si(6), and two equivalent Si(2) atoms. In the second Si site, Si(6) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Li(3), one Si(1), one Si(5), and two equivalent Si(3) atoms. In the third Si site, Si(1) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Li(3), one Si(3), one Si(6), and two equivalent Si(4) atoms. In the fourth Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Na(1), one Li(2), one Li(3), three equivalent Li(1), and two equivalent Si(5) atoms. In the fifth Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Na(1), one Li(1), two equivalent Li(3), one Si(1), and two equivalent Si(6) atoms. In the sixth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Na(1), three equivalent Li(2), one Si(5), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Na(LiSi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.800
_cell_length_b   10.320
_cell_length_c   18.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   706.068
_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  Na0  1  0.750  0.250  0.425  1.0
  Na  Na1  1  0.250  0.750  0.575  1.0
  Na  Na2  1  0.250  0.750  0.075  1.0
  Na  Na3  1  0.750  0.250  0.925  1.0
  Li  Li4  1  0.250  0.015  0.932  1.0
  Li  Li5  1  0.750  0.985  0.068  1.0
  Li  Li6  1  0.750  0.515  0.568  1.0
  Li  Li7  1  0.250  0.485  0.432  1.0
  Li  Li8  1  0.250  0.409  0.028  1.0
  Li  Li9  1  0.750  0.591  0.972  1.0
  Li  Li10  1  0.750  0.909  0.472  1.0
  Li  Li11  1  0.250  0.091  0.528  1.0
  Li  Li12  1  0.750  0.939  0.813  1.0
  Li  Li13  1  0.250  0.061  0.187  1.0
  Li  Li14  1  0.250  0.439  0.687  1.0
  Li  Li15  1  0.750  0.561  0.313  1.0
  Si  Si16  1  0.250  0.523  0.197  1.0
  Si  Si17  1  0.750  0.477  0.803  1.0
  Si  Si18  1  0.750  0.023  0.303  1.0
  Si  Si19  1  0.250  0.977  0.697  1.0
  Si  Si20  1  0.250  0.166  0.055  1.0
  Si  Si21  1  0.750  0.834  0.945  1.0
  Si  Si22  1  0.750  0.666  0.445  1.0
  Si  Si23  1  0.250  0.334  0.555  1.0
  Si  Si24  1  0.250  0.359  0.295  1.0
  Si  Si25  1  0.750  0.641  0.705  1.0
  Si  Si26  1  0.750  0.859  0.205  1.0
  Si  Si27  1  0.250  0.141  0.795  1.0
  Si  Si28  1  0.750  0.496  0.118  1.0
  Si  Si29  1  0.250  0.504  0.882  1.0
  Si  Si30  1  0.250  0.996  0.382  1.0
  Si  Si31  1  0.750  0.004  0.618  1.0
  Si  Si32  1  0.750  0.258  0.117  1.0
  Si  Si33  1  0.250  0.742  0.883  1.0
  Si  Si34  1  0.250  0.758  0.383  1.0
  Si  Si35  1  0.750  0.242  0.617  1.0
  Si  Si36  1  0.250  0.741  0.249  1.0
  Si  Si37  1  0.750  0.259  0.751  1.0
  Si  Si38  1  0.750  0.241  0.251  1.0
  Si  Si39  1  0.250  0.759  0.749  1.0
[/CIF]
.