# generated using pymatgen
data_Li2FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00839906
_cell_length_b   13.10565708
_cell_length_c   6.93338901
_cell_angle_alpha   89.99967460
_cell_angle_beta   89.99419506
_cell_angle_gamma   89.98696145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeP2O7
_chemical_formula_sum   'Li8 Fe4 P8 O28'
_cell_volume   636.82950543
_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  0.99994600  0.23176700  0.99986200  1
  Li  Li1  1  0.49993000  0.73191800  0.50016200  1
  Li  Li2  1  0.49992400  0.26818400  0.00001500  1
  Li  Li3  1  0.99984700  0.76814600  0.49984500  1
  Li  Li4  1  0.99991100  0.76807400  0.99982000  1
  Li  Li5  1  0.49987500  0.26815300  0.50019600  1
  Li  Li6  1  0.49998200  0.73191300  0.00004400  1
  Li  Li7  1  0.99988400  0.23193100  0.49985000  1
  Fe  Fe8  1  0.49991000  0.50000300  0.49964200  1
  Fe  Fe9  1  0.50031800  0.50018000  0.00037800  1
  Fe  Fe10  1  0.99996500  0.99984200  0.99992100  1
  Fe  Fe11  1  0.00014700  0.00006200  0.49997900  1
  P  P12  1  0.81164500  0.38948500  0.74997100  1
  P  P13  1  0.31189800  0.88963700  0.25006500  1
  P  P14  1  0.18835000  0.38958800  0.24981100  1
  P  P15  1  0.68825300  0.88953800  0.74999700  1
  P  P16  1  0.81162000  0.61027800  0.74994600  1
  P  P17  1  0.31166900  0.11051800  0.24989400  1
  P  P18  1  0.18830700  0.61039400  0.24994500  1
  P  P19  1  0.68824600  0.11044900  0.75011500  1
  O  O20  1  0.91866100  0.49993200  0.74988500  1
  O  O21  1  0.41874000  0.00006400  0.25003700  1
  O  O22  1  0.08129300  0.50002500  0.24982000  1
  O  O23  1  0.58131000  0.99998600  0.74998200  1
  O  O24  1  0.03573100  0.30820700  0.24992000  1
  O  O25  1  0.53579500  0.80804300  0.75013000  1
  O  O26  1  0.96421000  0.30806600  0.74986000  1
  O  O27  1  0.46458400  0.80824900  0.25035300  1
  O  O28  1  0.03587500  0.69191100  0.25012300  1
  O  O29  1  0.53562100  0.19186300  0.75036100  1
  O  O30  1  0.96403500  0.69175000  0.75011900  1
  O  O31  1  0.46426600  0.19190000  0.24998600  1
  O  O32  1  0.18496300  0.11273300  0.06648100  1
  O  O33  1  0.68496900  0.61272700  0.56650500  1
  O  O34  1  0.81505900  0.11265200  0.93350600  1
  O  O35  1  0.31503100  0.61268000  0.43342200  1
  O  O36  1  0.68507500  0.38724100  0.93350400  1
  O  O37  1  0.18498200  0.88732900  0.43343100  1
  O  O38  1  0.31517300  0.38731900  0.06649500  1
  O  O39  1  0.81504100  0.88718900  0.56658600  1
  O  O40  1  0.31502600  0.61282500  0.06651400  1
  O  O41  1  0.81495800  0.11276500  0.56663700  1
  O  O42  1  0.68502300  0.61278100  0.93347500  1
  O  O43  1  0.18499500  0.11283900  0.43342800  1
  O  O44  1  0.18517200  0.88724000  0.06656300  1
  O  O45  1  0.68487000  0.38717000  0.56657800  1
  O  O46  1  0.81495400  0.88721200  0.93350200  1
  O  O47  1  0.31496400  0.38724600  0.43334100  1
