# generated using pymatgen
data_Li9Fe3P8O29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86157074
_cell_length_b   9.86157074
_cell_length_c   13.76563700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Fe3P8O29
_chemical_formula_sum   'Li18 Fe6 P16 O58'
_cell_volume   1159.36213465
_cell_formula_units_Z   2
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  0.89933500  0.23447100  0.06392800  1
  Li  Li1  1  0.89933500  0.66486300  0.56392800  1
  Li  Li2  1  0.66666700  0.33333300  0.88012200  1
  Li  Li3  1  0.10066500  0.76552900  0.93607200  1
  Li  Li4  1  0.10066500  0.33513700  0.43607200  1
  Li  Li5  1  0.23447100  0.33513700  0.93607200  1
  Li  Li6  1  0.66486300  0.76552900  0.43607200  1
  Li  Li7  1  0.66666700  0.33333300  0.38012200  1
  Li  Li8  1  0.76552900  0.66486300  0.06392800  1
  Li  Li9  1  0.33513700  0.10066500  0.06392800  1
  Li  Li10  1  0.76552900  0.10066500  0.56392800  1
  Li  Li11  1  0.33333300  0.66666700  0.61987800  1
  Li  Li12  1  0.33333300  0.66666700  0.11987800  1
  Li  Li13  1  0.23447100  0.89933500  0.43607200  1
  Li  Li14  1  0.00000000  0.00000000  0.00000000  1
  Li  Li15  1  0.00000000  0.00000000  0.50000000  1
  Li  Li16  1  0.33513700  0.23447100  0.56392800  1
  Li  Li17  1  0.66486300  0.89933500  0.93607200  1
  Fe  Fe18  1  0.56597700  0.00000000  0.75000000  1
  Fe  Fe19  1  0.00000000  0.56597700  0.75000000  1
  Fe  Fe20  1  0.56597700  0.56597700  0.25000000  1
  Fe  Fe21  1  0.43402300  0.43402300  0.75000000  1
  Fe  Fe22  1  0.43402300  0.00000000  0.25000000  1
  Fe  Fe23  1  0.00000000  0.43402300  0.25000000  1
  P  P24  1  0.77369000  0.68366700  0.84429300  1
  P  P25  1  0.22631000  0.31633300  0.15570700  1
  P  P26  1  0.77369000  0.09002300  0.34429300  1
  P  P27  1  0.33333300  0.66666700  0.87556100  1
  P  P28  1  0.68366700  0.90997700  0.15570700  1
  P  P29  1  0.66666700  0.33333300  0.12443900  1
  P  P30  1  0.31633300  0.09002300  0.84429300  1
  P  P31  1  0.90997700  0.22631000  0.84429300  1
  P  P32  1  0.22631000  0.90997700  0.65570700  1
  P  P33  1  0.33333300  0.66666700  0.37556100  1
  P  P34  1  0.31633300  0.22631000  0.34429300  1
  P  P35  1  0.66666700  0.33333300  0.62443900  1
  P  P36  1  0.90997700  0.68366700  0.34429300  1
  P  P37  1  0.09002300  0.77369000  0.15570700  1
  P  P38  1  0.09002300  0.31633300  0.65570700  1
  P  P39  1  0.68366700  0.77369000  0.65570700  1
  O  O40  1  0.00266300  0.22794800  0.93330400  1
  O  O41  1  0.47996500  0.10828600  0.83357900  1
  O  O42  1  0.51269200  0.32326400  0.66311300  1
  O  O43  1  0.89171400  0.52003500  0.33357900  1
  O  O44  1  0.66666700  0.33333300  0.51442100  1
  O  O45  1  0.07761200  0.32928700  0.15552700  1
  O  O46  1  0.67673600  0.18942800  0.66311300  1
  O  O47  1  0.74832500  0.07761200  0.84447300  1
  O  O48  1  0.32928700  0.25167500  0.84447300  1
  O  O49  1  0.32326400  0.81057200  0.33688700  1
  O  O50  1  0.18942800  0.51269200  0.33688700  1
  O  O51  1  0.99733700  0.77205200  0.06669600  1
  O  O52  1  0.89171400  0.37167900  0.83357900  1
  O  O53  1  0.32326400  0.51269200  0.83688700  1
  O  O54  1  0.62832100  0.52003500  0.83357900  1
  O  O55  1  0.00000000  0.21335900  0.75000000  1
  O  O56  1  0.51269200  0.18942800  0.16311300  1
  O  O57  1  0.52003500  0.89171400  0.16642100  1
  O  O58  1  0.74832500  0.67071300  0.34447300  1
  O  O59  1  0.10828600  0.62832100  0.16642100  1
  O  O60  1  0.22794800  0.22528500  0.06669600  1
  O  O61  1  0.25167500  0.32928700  0.65552700  1
  O  O62  1  0.77205200  0.77471500  0.93330400  1
  O  O63  1  0.10828600  0.47996500  0.66642100  1
  O  O64  1  0.67071300  0.92238800  0.65552700  1
  O  O65  1  0.33333300  0.66666700  0.48557900  1
  O  O66  1  0.92238800  0.25167500  0.34447300  1
  O  O67  1  0.48730800  0.67673600  0.33688700  1
  O  O68  1  0.21335900  0.21335900  0.25000000  1
  O  O69  1  0.52003500  0.62832100  0.66642100  1
  O  O70  1  0.37167900  0.89171400  0.66642100  1
  O  O71  1  0.00266300  0.77471500  0.43330400  1
  O  O72  1  0.81057200  0.32326400  0.16311300  1
  O  O73  1  0.33333300  0.66666700  0.98557900  1
  O  O74  1  0.37167900  0.47996500  0.16642100  1
  O  O75  1  0.62832100  0.10828600  0.33357900  1
  O  O76  1  0.81057200  0.48730800  0.66311300  1
  O  O77  1  0.22528500  0.22794800  0.43330400  1
  O  O78  1  0.78664100  0.78664100  0.75000000  1
  O  O79  1  0.47996500  0.37167900  0.33357900  1
  O  O80  1  0.18942800  0.67673600  0.83688700  1
  O  O81  1  0.77471500  0.00266300  0.06669600  1
  O  O82  1  0.99733700  0.22528500  0.56669600  1
  O  O83  1  0.32928700  0.07761200  0.34447300  1
  O  O84  1  0.67673600  0.48730800  0.16311300  1
  O  O85  1  0.92238800  0.67071300  0.84447300  1
  O  O86  1  0.66666700  0.33333300  0.01442100  1
  O  O87  1  0.77471500  0.77205200  0.56669600  1
  O  O88  1  0.78664100  0.00000000  0.25000000  1
  O  O89  1  0.22794800  0.00266300  0.56669600  1
  O  O90  1  0.25167500  0.92238800  0.15552700  1
  O  O91  1  0.67071300  0.74832500  0.15552700  1
  O  O92  1  0.77205200  0.99733700  0.43330400  1
  O  O93  1  0.21335900  0.00000000  0.75000000  1
  O  O94  1  0.48730800  0.81057200  0.83688700  1
  O  O95  1  0.22528500  0.99733700  0.93330400  1
  O  O96  1  0.00000000  0.78664100  0.25000000  1
  O  O97  1  0.07761200  0.74832500  0.65552700  1
