# generated using pymatgen
data_Li3Fe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75609300
_cell_length_b   8.50317000
_cell_length_c   14.72001694
_cell_angle_alpha   55.23547895
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(PO4)3
_chemical_formula_sum   'Li12 Fe8 P12 O48'
_cell_volume   900.34384704
_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  0.98958200  0.77932600  0.65573200  1
  Li  Li1  1  0.01041800  0.22067400  0.34426800  1
  Li  Li2  1  0.58478500  0.89036500  0.69094300  1
  Li  Li3  1  0.28062400  0.50393600  0.17833100  1
  Li  Li4  1  0.78062400  0.49606400  0.32166900  1
  Li  Li5  1  0.08478500  0.10963500  0.80905700  1
  Li  Li6  1  0.51041800  0.77932600  0.15573200  1
  Li  Li7  1  0.48958200  0.22067400  0.84426800  1
  Li  Li8  1  0.91521500  0.89036500  0.19094300  1
  Li  Li9  1  0.41521500  0.10963500  0.30905700  1
  Li  Li10  1  0.71937600  0.49606400  0.82166900  1
  Li  Li11  1  0.21937600  0.50393600  0.67833100  1
  Fe  Fe12  1  0.52501900  0.84561700  0.89650200  1
  Fe  Fe13  1  0.96287300  0.63752000  0.10626400  1
  Fe  Fe14  1  0.46287300  0.36248000  0.39373600  1
  Fe  Fe15  1  0.02501900  0.15438300  0.60349800  1
  Fe  Fe16  1  0.97498100  0.84561700  0.39650200  1
  Fe  Fe17  1  0.53712700  0.63752000  0.60626400  1
  Fe  Fe18  1  0.03712700  0.36248000  0.89373600  1
  Fe  Fe19  1  0.47498100  0.15438300  0.10349800  1
  P  P20  1  0.61971300  0.76413200  0.34833000  1
  P  P21  1  0.89072100  0.46599100  0.64844200  1
  P  P22  1  0.75072700  0.04879800  0.99155900  1
  P  P23  1  0.24927300  0.95120200  0.00844100  1
  P  P24  1  0.10927900  0.53400900  0.35155800  1
  P  P25  1  0.38028700  0.23586800  0.65167000  1
  P  P26  1  0.60927900  0.46599100  0.14844200  1
  P  P27  1  0.88028700  0.76413200  0.84833000  1
  P  P28  1  0.25072700  0.95120200  0.50844100  1
  P  P29  1  0.11971300  0.23586800  0.15167000  1
  P  P30  1  0.39072100  0.53400900  0.85155800  1
  P  P31  1  0.74927300  0.04879800  0.49155900  1
  O  O32  1  0.32254800  0.74977300  0.56360300  1
  O  O33  1  0.49310400  0.37996400  0.24700800  1
  O  O34  1  0.70380400  0.79162600  0.83073200  1
  O  O35  1  0.86223200  0.01347700  0.58321000  1
  O  O36  1  0.07861300  0.37539200  0.18639000  1
  O  O37  1  0.16717000  0.95868300  0.59840000  1
  O  O38  1  0.39032000  0.65633700  0.89742300  1
  O  O39  1  0.37259200  0.10857500  0.44334400  1
  O  O40  1  0.62740800  0.89142500  0.55665600  1
  O  O41  1  0.60968000  0.34366300  0.10257700  1
  O  O42  1  0.83283000  0.04131700  0.40160000  1
  O  O43  1  0.92138700  0.62460800  0.81361000  1
  O  O44  1  0.13776800  0.98652300  0.41679000  1
  O  O45  1  0.29619600  0.20837400  0.16926800  1
  O  O46  1  0.50689600  0.62003600  0.75299200  1
  O  O47  1  0.08375000  0.33150100  0.02948200  1
  O  O48  1  0.23134200  0.51598600  0.81225600  1
  O  O49  1  0.91625000  0.66849900  0.97051800  1
  O  O50  1  0.02850700  0.04815900  0.22515400  1
  O  O51  1  0.45271200  0.32708000  0.93752100  1
  O  O52  1  0.95271200  0.67292000  0.56247900  1
  O  O53  1  0.52850700  0.95184100  0.27484600  1
  O  O54  1  0.82254800  0.25022700  0.93639700  1
  O  O55  1  0.73134200  0.48401400  0.68774400  1
  O  O56  1  0.58375000  0.66849900  0.47051800  1
  O  O57  1  0.79619600  0.79162600  0.33073200  1
  O  O58  1  0.00689600  0.37996400  0.74700800  1
  O  O59  1  0.63776800  0.01347700  0.08321000  1
  O  O60  1  0.42138700  0.37539200  0.68639000  1
  O  O61  1  0.33283000  0.95868300  0.09840000  1
  O  O62  1  0.10968000  0.65633700  0.39742300  1
  O  O63  1  0.12740800  0.10857500  0.94334400  1
  O  O64  1  0.87259200  0.89142500  0.05665600  1
  O  O65  1  0.89032000  0.34366300  0.60257700  1
  O  O66  1  0.66717000  0.04131700  0.90160000  1
  O  O67  1  0.57861300  0.62460800  0.31361000  1
  O  O68  1  0.36223200  0.98652300  0.91679000  1
  O  O69  1  0.99310400  0.62003600  0.25299200  1
  O  O70  1  0.20380400  0.20837400  0.66926800  1
  O  O71  1  0.41625000  0.33150100  0.52948200  1
  O  O72  1  0.76865800  0.48401400  0.18774400  1
  O  O73  1  0.17745200  0.74977300  0.06360300  1
  O  O74  1  0.47149300  0.04815900  0.72515400  1
  O  O75  1  0.04728800  0.32708000  0.43752100  1
  O  O76  1  0.54728800  0.67292000  0.06247900  1
  O  O77  1  0.97149300  0.95184100  0.77484600  1
  O  O78  1  0.67745200  0.25022700  0.43639700  1
  O  O79  1  0.26865800  0.51598600  0.31225600  1
