# generated using pymatgen
data_Li21Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.10445359
_cell_length_b   13.10445359
_cell_length_c   13.10445359
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li21Si5
_chemical_formula_sum   'Li84 Si20'
_cell_volume   1591.26222744
_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
  Li  Li0  1  0.24340700  0.24340700  0.93464900  1
  Li  Li1  1  0.93464900  0.24340700  0.57853800  1
  Li  Li2  1  0.24340700  0.93464900  0.57853800  1
  Li  Li3  1  0.57853800  0.24340700  0.24340700  1
  Li  Li4  1  0.24340700  0.57853800  0.24340700  1
  Li  Li5  1  0.57853800  0.93464900  0.24340700  1
  Li  Li6  1  0.93464900  0.57853800  0.24340700  1
  Li  Li7  1  0.24340700  0.57853800  0.93464900  1
  Li  Li8  1  0.93464900  0.24340700  0.24340700  1
  Li  Li9  1  0.24340700  0.93464900  0.24340700  1
  Li  Li10  1  0.57853800  0.24340700  0.93464900  1
  Li  Li11  1  0.24340700  0.24340700  0.57853800  1
  Li  Li12  1  0.73004700  0.73004700  0.46031300  1
  Li  Li13  1  0.46031300  0.73004700  0.07959400  1
  Li  Li14  1  0.73004700  0.46031300  0.07959400  1
  Li  Li15  1  0.07959400  0.73004700  0.73004700  1
  Li  Li16  1  0.73004700  0.07959400  0.73004700  1
  Li  Li17  1  0.07959400  0.46031300  0.73004700  1
  Li  Li18  1  0.46031300  0.07959400  0.73004700  1
  Li  Li19  1  0.73004700  0.07959400  0.46031300  1
  Li  Li20  1  0.94722000  0.94722000  0.94722000  1
  Li  Li21  1  0.94722000  0.94722000  0.15834100  1
  Li  Li22  1  0.94722000  0.15834100  0.94722000  1
  Li  Li23  1  0.15834100  0.94722000  0.94722000  1
  Li  Li24  1  0.83156700  0.83156700  0.83156700  1
  Li  Li25  1  0.83156700  0.83156700  0.50530000  1
  Li  Li26  1  0.83156700  0.50530000  0.83156700  1
  Li  Li27  1  0.50530000  0.83156700  0.83156700  1
  Li  Li28  1  0.69300000  0.69300000  0.69300000  1
  Li  Li29  1  0.69300000  0.69300000  0.92099900  1
  Li  Li30  1  0.69300000  0.92099900  0.69300000  1
  Li  Li31  1  0.92099900  0.69300000  0.69300000  1
  Li  Li32  1  0.56376100  0.56376100  0.56376100  1
  Li  Li33  1  0.56376100  0.56376100  0.30871700  1
  Li  Li34  1  0.56376100  0.30871700  0.56376100  1
  Li  Li35  1  0.30871700  0.56376100  0.56376100  1
  Li  Li36  1  0.41988900  0.41988900  0.41988900  1
  Li  Li37  1  0.41988900  0.41988900  0.74033300  1
  Li  Li38  1  0.41988900  0.74033300  0.41988900  1
  Li  Li39  1  0.74033300  0.41988900  0.41988900  1
  Li  Li40  1  0.19391600  0.19391600  0.19391600  1
  Li  Li41  1  0.19391600  0.19391600  0.41825300  1
  Li  Li42  1  0.19391600  0.41825300  0.19391600  1
  Li  Li43  1  0.41825300  0.19391600  0.19391600  1
  Li  Li44  1  0.82467500  0.17532500  0.82467500  1
  Li  Li45  1  0.82467500  0.82467500  0.17532500  1
  Li  Li46  1  0.17532500  0.17532500  0.82467500  1
  Li  Li47  1  0.17532500  0.82467500  0.17532500  1
  Li  Li48  1  0.17532500  0.82467500  0.82467500  1
  Li  Li49  1  0.82467500  0.17532500  0.17532500  1
  Li  Li50  1  0.42276000  0.07724000  0.42276000  1
  Li  Li51  1  0.42276000  0.42276000  0.07724000  1
  Li  Li52  1  0.07724000  0.07724000  0.42276000  1
  Li  Li53  1  0.07724000  0.42276000  0.07724000  1
  Li  Li54  1  0.07724000  0.42276000  0.42276000  1
  Li  Li55  1  0.42276000  0.07724000  0.07724000  1
  Li  Li56  1  0.98724900  0.98724900  0.33082700  1
  Li  Li57  1  0.33082700  0.98724900  0.69467500  1
  Li  Li58  1  0.98724900  0.69467500  0.98724900  1
  Li  Li59  1  0.69467500  0.98724900  0.98724900  1
  Li  Li60  1  0.98724900  0.33082700  0.69467500  1
  Li  Li61  1  0.69467500  0.33082700  0.98724900  1
  Li  Li62  1  0.33082700  0.69467500  0.98724900  1
  Li  Li63  1  0.98724900  0.33082700  0.98724900  1
  Li  Li64  1  0.33082700  0.98724900  0.98724900  1
  Li  Li65  1  0.98724900  0.69467500  0.33082700  1
  Li  Li66  1  0.69467500  0.98724900  0.33082700  1
  Li  Li67  1  0.98724900  0.98724900  0.69467500  1
  Li  Li68  1  0.48877600  0.48877600  0.19223300  1
  Li  Li69  1  0.19223300  0.48877600  0.83021500  1
  Li  Li70  1  0.48877600  0.83021500  0.48877600  1
  Li  Li71  1  0.83021500  0.48877600  0.48877600  1
  Li  Li72  1  0.48877600  0.19223300  0.83021500  1
  Li  Li73  1  0.83021500  0.19223300  0.48877600  1
  Li  Li74  1  0.19223300  0.83021500  0.48877600  1
  Li  Li75  1  0.48877600  0.19223300  0.48877600  1
  Li  Li76  1  0.19223300  0.48877600  0.48877600  1
  Li  Li77  1  0.48877600  0.83021500  0.19223300  1
  Li  Li78  1  0.83021500  0.48877600  0.19223300  1
  Li  Li79  1  0.48877600  0.48877600  0.83021500  1
  Li  Li80  1  0.73004700  0.73004700  0.07959400  1
  Li  Li81  1  0.07959400  0.73004700  0.46031300  1
  Li  Li82  1  0.73004700  0.46031300  0.73004700  1
  Li  Li83  1  0.46031300  0.73004700  0.73004700  1
  Si  Si84  1  0.92809200  0.57190800  0.57190800  1
  Si  Si85  1  0.57190800  0.92809200  0.92809200  1
  Si  Si86  1  0.57190800  0.92809200  0.57190800  1
  Si  Si87  1  0.57190800  0.57190800  0.92809200  1
  Si  Si88  1  0.92809200  0.92809200  0.57190800  1
  Si  Si89  1  0.92809200  0.57190800  0.92809200  1
  Si  Si90  1  0.67981500  0.32018500  0.32018500  1
  Si  Si91  1  0.32018500  0.67981500  0.67981500  1
  Si  Si92  1  0.32018500  0.67981500  0.32018500  1
  Si  Si93  1  0.32018500  0.32018500  0.67981500  1
  Si  Si94  1  0.67981500  0.67981500  0.32018500  1
  Si  Si95  1  0.67981500  0.32018500  0.67981500  1
  Si  Si96  1  0.99471200  0.33509600  0.33509600  1
  Si  Si97  1  0.33509600  0.99471200  0.33509600  1
  Si  Si98  1  0.33509600  0.33509600  0.99471200  1
  Si  Si99  1  0.33509600  0.33509600  0.33509600  1
  Si  Si100  1  0.73049800  0.08983400  0.08983400  1
  Si  Si101  1  0.08983400  0.73049800  0.08983400  1
  Si  Si102  1  0.08983400  0.08983400  0.73049800  1
  Si  Si103  1  0.08983400  0.08983400  0.08983400  1
