# generated using pymatgen
data_Li3FeSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62073704
_cell_length_b   8.62073704
_cell_length_c   13.04529900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeSi2O7
_chemical_formula_sum   'Li18 Fe6 Si12 O42'
_cell_volume   839.60206391
_cell_formula_units_Z   6
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  0.02475700  0.69073300  0.89743100  1
  Li  Li1  1  0.02403200  0.69153900  0.56649000  1
  Li  Li2  1  0.33333300  0.66666700  0.21807900  1
  Li  Li3  1  0.33333300  0.66666700  0.73289900  1
  Li  Li4  1  0.00000000  0.00000000  0.46127600  1
  Li  Li5  1  0.00000000  0.00000000  0.96127600  1
  Li  Li6  1  0.30846100  0.33249400  0.56649000  1
  Li  Li7  1  0.30926700  0.33402400  0.89743100  1
  Li  Li8  1  0.66597600  0.97524300  0.89743100  1
  Li  Li9  1  0.66750600  0.97596800  0.56649000  1
  Li  Li10  1  0.33249400  0.02403200  0.06649000  1
  Li  Li11  1  0.33402400  0.02475700  0.39743100  1
  Li  Li12  1  0.69073300  0.66597600  0.39743100  1
  Li  Li13  1  0.69153900  0.66750600  0.06649000  1
  Li  Li14  1  0.66666700  0.33333300  0.23289900  1
  Li  Li15  1  0.66666700  0.33333300  0.71807900  1
  Li  Li16  1  0.97596800  0.30846100  0.06649000  1
  Li  Li17  1  0.97524300  0.30926700  0.39743100  1
  Fe  Fe18  1  0.00000000  0.00000000  0.22991600  1
  Fe  Fe19  1  0.00000000  0.00000000  0.72991600  1
  Fe  Fe20  1  0.33333300  0.66666700  0.50874000  1
  Fe  Fe21  1  0.33333300  0.66666700  0.95607200  1
  Fe  Fe22  1  0.66666700  0.33333300  0.45607200  1
  Fe  Fe23  1  0.66666700  0.33333300  0.00874000  1
  Si  Si24  1  0.02637000  0.67474000  0.34528600  1
  Si  Si25  1  0.02425000  0.67361500  0.12059400  1
  Si  Si26  1  0.32638500  0.35063500  0.12059400  1
  Si  Si27  1  0.32526000  0.35163000  0.34528600  1
  Si  Si28  1  0.64936500  0.97575000  0.12059400  1
  Si  Si29  1  0.64837000  0.97363000  0.34528600  1
  Si  Si30  1  0.35163000  0.02637000  0.84528600  1
  Si  Si31  1  0.35063500  0.02425000  0.62059400  1
  Si  Si32  1  0.67474000  0.64837000  0.84528600  1
  Si  Si33  1  0.67361500  0.64936500  0.62059400  1
  Si  Si34  1  0.97575000  0.32638500  0.62059400  1
  Si  Si35  1  0.97363000  0.32526000  0.84528600  1
  O  O36  1  0.13283500  0.92984800  0.84145500  1
  O  O37  1  0.13255200  0.92638000  0.62687500  1
  O  O38  1  0.13014400  0.69616100  0.23276900  1
  O  O39  1  0.18785900  0.75666400  0.03584900  1
  O  O40  1  0.18835300  0.75832000  0.43085700  1
  O  O41  1  0.11894500  0.53937000  0.60561300  1
  O  O42  1  0.11873700  0.53795200  0.85988400  1
  O  O43  1  0.07015200  0.20298700  0.84145500  1
  O  O44  1  0.41921600  0.88126300  0.85988400  1
  O  O45  1  0.07362000  0.20617100  0.62687500  1
  O  O46  1  0.42042500  0.88105500  0.60561300  1
  O  O47  1  0.24333600  0.43119500  0.03584900  1
  O  O48  1  0.24168000  0.43003300  0.43085700  1
  O  O49  1  0.30383900  0.43398300  0.23276900  1
  O  O50  1  0.20298700  0.13283500  0.34145500  1
  O  O51  1  0.56601700  0.86985600  0.23276900  1
  O  O52  1  0.20617100  0.13255200  0.12687500  1
  O  O53  1  0.56996700  0.81164700  0.43085700  1
  O  O54  1  0.56880500  0.81214100  0.03584900  1
  O  O55  1  0.46063000  0.57957500  0.60561300  1
  O  O56  1  0.46204800  0.58078400  0.85988400  1
  O  O57  1  0.53795200  0.41921600  0.35988400  1
  O  O58  1  0.53937000  0.42042500  0.10561300  1
  O  O59  1  0.43119500  0.18785900  0.53584900  1
  O  O60  1  0.43003300  0.18835300  0.93085700  1
  O  O61  1  0.79382900  0.86744800  0.62687500  1
  O  O62  1  0.43398300  0.13014400  0.73276900  1
  O  O63  1  0.79701300  0.86716500  0.84145500  1
  O  O64  1  0.69616100  0.56601700  0.73276900  1
  O  O65  1  0.75832000  0.56996700  0.93085700  1
  O  O66  1  0.75666400  0.56880500  0.53584900  1
  O  O67  1  0.57957500  0.11894500  0.10561300  1
  O  O68  1  0.92638000  0.79382900  0.12687500  1
  O  O69  1  0.58078400  0.11873700  0.35988400  1
  O  O70  1  0.92984800  0.79701300  0.34145500  1
  O  O71  1  0.88126300  0.46204800  0.35988400  1
  O  O72  1  0.88105500  0.46063000  0.10561300  1
  O  O73  1  0.81164700  0.24168000  0.93085700  1
  O  O74  1  0.81214100  0.24333600  0.53584900  1
  O  O75  1  0.86985600  0.30383900  0.73276900  1
  O  O76  1  0.86744800  0.07362000  0.12687500  1
  O  O77  1  0.86716500  0.07015200  0.34145500  1
