# generated using pymatgen
data_LiFe(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.72457500
_cell_length_b   9.05586800
_cell_length_c   10.34279965
_cell_angle_alpha   79.30061792
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)5
_chemical_formula_sum   'Li4 Fe4 P20 O60'
_cell_volume   1263.13683825
_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  0.39242000  0.90873600  0.77610000  1
  Li  Li1  1  0.60758000  0.09126400  0.22390000  1
  Li  Li2  1  0.10758000  0.90873600  0.27610000  1
  Li  Li3  1  0.89242000  0.09126400  0.72390000  1
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe7  1  0.50000000  0.50000000  0.00000000  1
  P  P8  1  0.14089000  0.47923200  0.75054400  1
  P  P9  1  0.64089000  0.52076800  0.74945600  1
  P  P10  1  0.64255700  0.52333200  0.24680400  1
  P  P11  1  0.35744300  0.47666800  0.75319600  1
  P  P12  1  0.91609700  0.81367100  0.57455000  1
  P  P13  1  0.92695200  0.80680800  0.08857100  1
  P  P14  1  0.75191300  0.00289900  0.97923000  1
  P  P15  1  0.42695200  0.19319200  0.41142900  1
  P  P16  1  0.24808700  0.99710100  0.02077000  1
  P  P17  1  0.14255700  0.47666800  0.25319600  1
  P  P18  1  0.07304800  0.19319200  0.91142900  1
  P  P19  1  0.58390300  0.81367100  0.07455000  1
  P  P20  1  0.41609700  0.18632900  0.92545000  1
  P  P21  1  0.57304800  0.80680800  0.58857100  1
  P  P22  1  0.35911000  0.47923200  0.25054400  1
  P  P23  1  0.85911000  0.52076800  0.24945600  1
  P  P24  1  0.74808700  0.00289900  0.47923000  1
  P  P25  1  0.25191300  0.99710100  0.52077000  1
  P  P26  1  0.08390300  0.18632900  0.42545000  1
  P  P27  1  0.85744300  0.52333200  0.74680400  1
  O  O28  1  0.99015600  0.90210300  0.15655900  1
  O  O29  1  0.92506300  0.44093900  0.16917100  1
  O  O30  1  0.49015600  0.09789700  0.34344100  1
  O  O31  1  0.64287200  0.69845100  0.69122700  1
  O  O32  1  0.54428500  0.93453600  0.13855800  1
  O  O33  1  0.12532600  0.49588700  0.10755800  1
  O  O34  1  0.07493700  0.55906100  0.83082900  1
  O  O35  1  0.33080900  0.12220400  0.03123200  1
  O  O36  1  0.83080900  0.87779600  0.46876800  1
  O  O37  1  0.01756600  0.27931900  0.49477000  1
  O  O38  1  0.07713800  0.56188800  0.33120700  1
  O  O39  1  0.51910300  0.71427500  0.50334100  1
  O  O40  1  0.45571500  0.06546400  0.86144200  1
  O  O41  1  0.37467400  0.49588700  0.60755800  1
  O  O42  1  0.62532600  0.50411300  0.39244200  1
  O  O43  1  0.50984400  0.90210300  0.65655900  1
  O  O44  1  0.14667300  0.30122600  0.31541600  1
  O  O45  1  0.48089700  0.28572500  0.49665900  1
  O  O46  1  0.12361300  0.50153100  0.60451300  1
  O  O47  1  0.01910300  0.28572500  0.99665900  1
  O  O48  1  0.16919100  0.12220400  0.53123200  1
  O  O49  1  0.15234300  0.10161900  0.00645900  1
  O  O50  1  0.84765700  0.89838100  0.99354100  1
  O  O51  1  0.26580700  0.92068800  0.90559100  1
  O  O52  1  0.76580700  0.07931200  0.59440900  1
  O  O53  1  0.87467400  0.50411300  0.89244200  1
  O  O54  1  0.14287200  0.30154900  0.80877300  1
  O  O55  1  0.87638700  0.49846900  0.39548700  1
  O  O56  1  0.35712800  0.30154900  0.30877300  1
  O  O57  1  0.65234300  0.89838100  0.49354100  1
  O  O58  1  0.34765700  0.10161900  0.50645900  1
  O  O59  1  0.23419300  0.92068800  0.40559100  1
  O  O60  1  0.64667300  0.69877400  0.18458400  1
  O  O61  1  0.75089700  0.46879000  0.22327500  1
  O  O62  1  0.66919100  0.87779600  0.96876800  1
  O  O63  1  0.98243400  0.72068100  0.50523000  1
  O  O64  1  0.51756600  0.72068100  0.00523000  1
  O  O65  1  0.24910300  0.53121000  0.77672500  1
  O  O66  1  0.42286200  0.56188800  0.83120700  1
  O  O67  1  0.35332700  0.30122600  0.81541600  1
  O  O68  1  0.92286200  0.43811200  0.66879300  1
  O  O69  1  0.25089700  0.53121000  0.27672500  1
  O  O70  1  0.95571500  0.93453600  0.63855800  1
  O  O71  1  0.48243400  0.27931900  0.99477000  1
  O  O72  1  0.26445900  0.89181000  0.65082400  1
  O  O73  1  0.74910300  0.46879000  0.72327500  1
  O  O74  1  0.57493700  0.44093900  0.66917100  1
  O  O75  1  0.85712800  0.69845100  0.19122700  1
  O  O76  1  0.57713800  0.43811200  0.16879300  1
  O  O77  1  0.76445900  0.10819000  0.84917600  1
  O  O78  1  0.04428500  0.06546400  0.36144200  1
  O  O79  1  0.73419300  0.07931200  0.09440900  1
  O  O80  1  0.62361300  0.49846900  0.89548700  1
  O  O81  1  0.42506300  0.55906100  0.33082900  1
  O  O82  1  0.00984400  0.09789700  0.84344100  1
  O  O83  1  0.73554100  0.10819000  0.34917600  1
  O  O84  1  0.23554100  0.89181000  0.15082400  1
  O  O85  1  0.98089700  0.71427500  0.00334100  1
  O  O86  1  0.37638700  0.50153100  0.10451300  1
  O  O87  1  0.85332700  0.69877400  0.68458400  1
