# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46609000
_cell_length_b   9.35551600
_cell_length_c   14.92721269
_cell_angle_alpha   89.34624672
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(PO4)3
_chemical_formula_sum   'Li4 Fe16 P12 O48'
_cell_volume   902.94217872
_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  0.00000000  0.16309300  0.15517500  1
  Li  Li1  1  0.50000000  0.33600200  0.32209900  1
  Li  Li2  1  0.50000000  0.33508900  0.65601200  1
  Li  Li3  1  0.50000000  0.33028900  0.99625500  1
  Fe  Fe4  1  0.75688500  0.02011500  0.66548800  1
  Fe  Fe5  1  0.75855700  0.00604600  0.00101700  1
  Fe  Fe6  1  0.76307200  0.00430100  0.33505900  1
  Fe  Fe7  1  0.24144300  0.00604600  0.00101700  1
  Fe  Fe8  1  0.23692800  0.00430100  0.33505900  1
  Fe  Fe9  1  0.24311500  0.02011500  0.66548800  1
  Fe  Fe10  1  0.23780700  0.49888800  0.16303400  1
  Fe  Fe11  1  0.76219300  0.49888800  0.16303400  1
  Fe  Fe12  1  0.23531000  0.48298500  0.48869700  1
  Fe  Fe13  1  0.24503000  0.48821800  0.83572600  1
  Fe  Fe14  1  0.76469000  0.48298500  0.48869700  1
  Fe  Fe15  1  0.75497000  0.48821800  0.83572600  1
  Fe  Fe16  1  0.00000000  0.65131800  0.67642400  1
  Fe  Fe17  1  0.50000000  0.85208900  0.84207200  1
  Fe  Fe18  1  0.50000000  0.85821400  0.50193700  1
  Fe  Fe19  1  0.50000000  0.84401500  0.17497400  1
  P  P20  1  0.50000000  0.17921600  0.16020500  1
  P  P21  1  0.50000000  0.17439200  0.48871400  1
  P  P22  1  0.50000000  0.17449300  0.82518300  1
  P  P23  1  0.00000000  0.32450500  0.32125900  1
  P  P24  1  0.00000000  0.32820800  0.65750100  1
  P  P25  1  0.00000000  0.32080200  0.99335100  1
  P  P26  1  0.50000000  0.67486500  0.34679900  1
  P  P27  1  0.50000000  0.67491300  0.01085300  1
  P  P28  1  0.50000000  0.68435800  0.67489900  1
  P  P29  1  0.00000000  0.82017000  0.17255900  1
  P  P30  1  0.00000000  0.81656500  0.84007400  1
  P  P31  1  0.00000000  0.82535300  0.50949000  1
  O  O32  1  0.30419400  0.11431400  0.11753600  1
  O  O33  1  0.30569400  0.10948000  0.78311600  1
  O  O34  1  0.30582700  0.10656700  0.44849600  1
  O  O35  1  0.69417300  0.10656700  0.44849600  1
  O  O36  1  0.69430600  0.10948000  0.78311600  1
  O  O37  1  0.69580600  0.11431400  0.11753600  1
  O  O38  1  0.50000000  0.14107600  0.26246100  1
  O  O39  1  0.50000000  0.14307500  0.59295000  1
  O  O40  1  0.50000000  0.13741200  0.92837200  1
  O  O41  1  0.00000000  0.15819700  0.30147000  1
  O  O42  1  0.00000000  0.15394600  0.98576800  1
  O  O43  1  0.00000000  0.16360300  0.64795000  1
  O  O44  1  0.50000000  0.34419500  0.13935200  1
  O  O45  1  0.50000000  0.34002100  0.46773300  1
  O  O46  1  0.50000000  0.34158000  0.80525300  1
  O  O47  1  0.00000000  0.36180000  0.42221300  1
  O  O48  1  0.00000000  0.36141000  0.09493400  1
  O  O49  1  0.00000000  0.38242600  0.75611300  1
  O  O50  1  0.20056100  0.37733900  0.94940900  1
  O  O51  1  0.20062000  0.38378100  0.27796500  1
  O  O52  1  0.19844100  0.38958100  0.61187700  1
  O  O53  1  0.80155900  0.38958100  0.61187700  1
  O  O54  1  0.79943900  0.37733900  0.94940900  1
  O  O55  1  0.79938000  0.38378100  0.27796500  1
  O  O56  1  0.30287900  0.61728200  0.05327700  1
  O  O57  1  0.30319400  0.61858100  0.39063000  1
  O  O58  1  0.30485000  0.61756300  0.71883300  1
  O  O59  1  0.69712100  0.61728200  0.05327700  1
  O  O60  1  0.69680600  0.61858100  0.39063000  1
  O  O61  1  0.69515000  0.61756300  0.71883300  1
  O  O62  1  0.50000000  0.64639400  0.24307600  1
  O  O63  1  0.50000000  0.64705600  0.90634600  1
  O  O64  1  0.50000000  0.66024600  0.57299700  1
  O  O65  1  0.00000000  0.65655600  0.18303700  1
  O  O66  1  0.00000000  0.64987800  0.84355900  1
  O  O67  1  0.00000000  0.65909900  0.53306600  1
  O  O68  1  0.50000000  0.84872300  0.69894500  1
  O  O69  1  0.50000000  0.84612300  0.02745500  1
  O  O70  1  0.50000000  0.84545900  0.36150400  1
  O  O71  1  0.00000000  0.86050600  0.73781400  1
  O  O72  1  0.00000000  0.86819000  0.41033400  1
  O  O73  1  0.00000000  0.88145400  0.07561400  1
  O  O74  1  0.80276900  0.87512100  0.88608900  1
  O  O75  1  0.19723100  0.87512100  0.88608900  1
  O  O76  1  0.80098600  0.88333800  0.55736300  1
  O  O77  1  0.80157600  0.88004500  0.22098100  1
  O  O78  1  0.19842400  0.88004500  0.22098100  1
  O  O79  1  0.19901400  0.88333800  0.55736300  1
