# generated using pymatgen
data_Li2Fe3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74347200
_cell_length_b   7.66326300
_cell_length_c   10.95815156
_cell_angle_alpha   68.93053264
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3(P2O7)2
_chemical_formula_sum   'Li4 Fe6 P8 O28'
_cell_volume   606.78664287
_cell_formula_units_Z   2
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  0.59888100  0.24042200  0.23658400  1
  Li  Li1  1  0.40111900  0.75957800  0.76341600  1
  Li  Li2  1  0.90111900  0.24042200  0.73658400  1
  Li  Li3  1  0.09888100  0.75957800  0.26341600  1
  Fe  Fe4  1  0.79913200  0.49443700  0.45674400  1
  Fe  Fe5  1  0.20086800  0.50556300  0.54325600  1
  Fe  Fe6  1  0.29913200  0.50556300  0.04325600  1
  Fe  Fe7  1  0.70086800  0.49443700  0.95674400  1
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe9  1  0.50000000  0.00000000  0.50000000  1
  P  P10  1  0.26691300  0.13555400  0.71529200  1
  P  P11  1  0.73308700  0.86444600  0.28470800  1
  P  P12  1  0.55120700  0.45267400  0.69938700  1
  P  P13  1  0.44879300  0.54732600  0.30061300  1
  P  P14  1  0.05120700  0.54732600  0.80061300  1
  P  P15  1  0.23308700  0.13555400  0.21529200  1
  P  P16  1  0.94879300  0.45267400  0.19938700  1
  P  P17  1  0.76691300  0.86444600  0.78470800  1
  O  O18  1  0.42568100  0.61339000  0.15261000  1
  O  O19  1  0.10925700  0.33162800  0.17422200  1
  O  O20  1  0.99166200  0.34655700  0.86819700  1
  O  O21  1  0.71281100  0.40035300  0.63642700  1
  O  O22  1  0.24061800  0.04574200  0.86026000  1
  O  O23  1  0.78718900  0.40035300  0.13642700  1
  O  O24  1  0.13657100  0.01417100  0.15286700  1
  O  O25  1  0.21281100  0.59964700  0.86357300  1
  O  O26  1  0.50833800  0.34655700  0.36819700  1
  O  O27  1  0.36342900  0.01417100  0.65286700  1
  O  O28  1  0.75938200  0.95425800  0.13974000  1
  O  O29  1  0.25938200  0.04574200  0.36026000  1
  O  O30  1  0.89268200  0.76556900  0.36559300  1
  O  O31  1  0.92568100  0.38661000  0.34739000  1
  O  O32  1  0.60925700  0.66837200  0.32577800  1
  O  O33  1  0.63657100  0.98582900  0.34713300  1
  O  O34  1  0.07431900  0.61339000  0.65261000  1
  O  O35  1  0.60731800  0.76556900  0.86559300  1
  O  O36  1  0.39074300  0.33162800  0.67422200  1
  O  O37  1  0.28718900  0.59964700  0.36357300  1
  O  O38  1  0.57431900  0.38661000  0.84739000  1
  O  O39  1  0.39268200  0.23443100  0.13440700  1
  O  O40  1  0.86342900  0.98582900  0.84713300  1
  O  O41  1  0.74061800  0.95425800  0.63974000  1
  O  O42  1  0.89074300  0.66837200  0.82577800  1
  O  O43  1  0.00833800  0.65344300  0.13180300  1
  O  O44  1  0.10731800  0.23443100  0.63440700  1
  O  O45  1  0.49166200  0.65344300  0.63180300  1
