# generated using pymatgen
data_Li3Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79586287
_cell_length_b   9.79586287
_cell_length_c   9.75104519
_cell_angle_alpha   86.42361485
_cell_angle_beta   86.42361485
_cell_angle_gamma   85.58237064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(PO4)3
_chemical_formula_sum   'Li12 Fe8 P12 O48'
_cell_volume   929.54334988
_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  0.98874100  0.50171300  0.23515100  1
  Li  Li1  1  0.62226500  0.74745200  0.79909000  1
  Li  Li2  1  0.79038200  0.55832500  0.47209600  1
  Li  Li3  1  0.76596700  0.73214700  0.18107600  1
  Li  Li4  1  0.28899100  0.93089400  0.96790600  1
  Li  Li5  1  0.00143100  0.25348300  0.39217700  1
  Li  Li6  1  0.74651700  0.99856900  0.60782300  1
  Li  Li7  1  0.06910600  0.71100900  0.03209400  1
  Li  Li8  1  0.26785300  0.23403300  0.81892400  1
  Li  Li9  1  0.44167500  0.20961800  0.52790400  1
  Li  Li10  1  0.25254800  0.37773500  0.20091000  1
  Li  Li11  1  0.49828700  0.01125900  0.76484900  1
  Fe  Fe12  1  0.97493000  0.25374500  0.77766900  1
  Fe  Fe13  1  0.25253600  0.97060900  0.27736500  1
  Fe  Fe14  1  0.47414000  0.52586000  0.50000000  1
  Fe  Fe15  1  0.25047800  0.74952200  0.50000000  1
  Fe  Fe16  1  0.75221000  0.24779000  0.00000000  1
  Fe  Fe17  1  0.52737600  0.47262400  0.00000000  1
  Fe  Fe18  1  0.02939100  0.74746400  0.72263500  1
  Fe  Fe19  1  0.74625500  0.02507000  0.22233100  1
  P  P20  1  0.82625500  0.94712000  0.90336000  1
  P  P21  1  0.94917100  0.82029000  0.40580700  1
  P  P22  1  0.84195000  0.55121900  0.92921700  1
  P  P23  1  0.55470400  0.83703800  0.42935400  1
  P  P24  1  0.34709800  0.68214800  0.80107500  1
  P  P25  1  0.66109200  0.31764000  0.69903200  1
  P  P26  1  0.68236000  0.33890800  0.30096800  1
  P  P27  1  0.31785200  0.65290200  0.19892500  1
  P  P28  1  0.16296200  0.44529600  0.57064600  1
  P  P29  1  0.44878100  0.15805000  0.07078300  1
  P  P30  1  0.17971000  0.05082900  0.59419300  1
  P  P31  1  0.05288000  0.17374500  0.09664000  1
  O  O32  1  0.96842700  0.87252700  0.86742800  1
  O  O33  1  0.88388100  0.96055700  0.35197700  1
  O  O34  1  0.91658500  0.81126200  0.56476600  1
  O  O35  1  0.79434800  0.90878800  0.05896300  1
  O  O36  1  0.71475900  0.91281600  0.81042800  1
  O  O37  1  0.89739300  0.69772400  0.33841000  1
  O  O38  1  0.90376700  0.61438500  0.79280100  1
  O  O39  1  0.59363900  0.90970600  0.55314700  1
  O  O40  1  0.62638500  0.88307500  0.28926600  1
  O  O41  1  0.90046400  0.60203000  0.05812200  1
  O  O42  1  0.87536100  0.39119200  0.92461000  1
  O  O43  1  0.68385200  0.58801200  0.92962600  1
  O  O44  1  0.42116800  0.80512500  0.84073900  1
  O  O45  1  0.59223100  0.67882600  0.44452500  1
  O  O46  1  0.39436200  0.86952300  0.41375900  1
  O  O47  1  0.80856900  0.40303700  0.34774000  1
  O  O48  1  0.81863600  0.30851000  0.66853800  1
  O  O49  1  0.29773000  0.80913300  0.15685800  1
  O  O50  1  0.60937900  0.45648600  0.62950900  1
  O  O51  1  0.37643500  0.66871400  0.64022000  1
  O  O52  1  0.17460400  0.89095700  0.62735300  1
  O  O53  1  0.84107000  0.10654600  0.87631400  1
  O  O54  1  0.45731700  0.59715500  0.13535200  1
  O  O55  1  0.62412000  0.32708900  0.85983500  1
  O  O56  1  0.67291100  0.37588000  0.14016500  1
  O  O57  1  0.40284500  0.54268300  0.86464800  1
  O  O58  1  0.89345400  0.15893000  0.12368600  1
  O  O59  1  0.10904300  0.82539600  0.37264700  1
  O  O60  1  0.33128600  0.62356400  0.35978000  1
  O  O61  1  0.54351400  0.39062100  0.37049100  1
  O  O62  1  0.19086700  0.70227000  0.84314200  1
  O  O63  1  0.69149000  0.18136400  0.33146200  1
  O  O64  1  0.59696300  0.19143100  0.65226000  1
  O  O65  1  0.13047700  0.60563800  0.58624100  1
  O  O66  1  0.32117400  0.40776900  0.55547500  1
  O  O67  1  0.19487500  0.57883200  0.15926100  1
  O  O68  1  0.41198800  0.31614800  0.07037400  1
  O  O69  1  0.60880800  0.12463900  0.07539000  1
  O  O70  1  0.39797000  0.09953600  0.94187800  1
  O  O71  1  0.11692500  0.37361500  0.71073400  1
  O  O72  1  0.09029400  0.40636100  0.44685300  1
  O  O73  1  0.38561500  0.09623300  0.20719900  1
  O  O74  1  0.30227600  0.10260700  0.66159000  1
  O  O75  1  0.08718400  0.28524100  0.18957200  1
  O  O76  1  0.09121200  0.20565200  0.94103700  1
  O  O77  1  0.18873800  0.08341500  0.43523400  1
  O  O78  1  0.03944300  0.11611900  0.64802300  1
  O  O79  1  0.12747300  0.03157300  0.13257200  1
