# generated using pymatgen
data_Li2FeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58546180
_cell_length_b   7.58557432
_cell_length_c   11.16595950
_cell_angle_alpha   89.69738016
_cell_angle_beta   89.69693773
_cell_angle_gamma   115.63712020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeP2O7
_chemical_formula_sum   'Li8 Fe4 P8 O28'
_cell_volume   579.21010451
_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  0.28472400  0.71527200  0.00000400  1
  Li  Li1  1  0.28474000  0.71526700  0.49999700  1
  Li  Li2  1  0.71526900  0.28472500  0.50000500  1
  Li  Li3  1  0.71526300  0.28474000  0.00000100  1
  Li  Li4  1  0.71437300  0.28562300  0.24999600  1
  Li  Li5  1  0.71436800  0.28564200  0.75000900  1
  Li  Li6  1  0.28563600  0.71436900  0.25000200  1
  Li  Li7  1  0.28562200  0.71437000  0.75000200  1
  Fe  Fe8  1  0.30604400  0.30605200  0.62103000  1
  Fe  Fe9  1  0.69393100  0.69393700  0.37896500  1
  Fe  Fe10  1  0.30605100  0.30604000  0.12097800  1
  Fe  Fe11  1  0.69395500  0.69393900  0.87897300  1
  P  P12  1  0.90877800  0.68606000  0.12770300  1
  P  P13  1  0.90878400  0.68606900  0.62770200  1
  P  P14  1  0.09122200  0.31393500  0.37229700  1
  P  P15  1  0.09122600  0.31394800  0.87230000  1
  P  P16  1  0.31394500  0.09122800  0.37229700  1
  P  P17  1  0.31392900  0.09121700  0.87229900  1
  P  P18  1  0.68605300  0.90877200  0.12770300  1
  P  P19  1  0.68606200  0.90878000  0.62770400  1
  O  O20  1  0.10391600  0.10391700  0.37396300  1
  O  O21  1  0.10390800  0.10391500  0.87396700  1
  O  O22  1  0.89608600  0.89608500  0.12603700  1
  O  O23  1  0.89608800  0.89608800  0.62603900  1
  O  O24  1  0.26527700  0.87670200  0.37426200  1
  O  O25  1  0.26526900  0.87668600  0.87426800  1
  O  O26  1  0.87668900  0.26527100  0.37426100  1
  O  O27  1  0.87669700  0.26527800  0.87427100  1
  O  O28  1  0.12331300  0.73473000  0.12574800  1
  O  O29  1  0.12331500  0.73473200  0.62572400  1
  O  O30  1  0.73472200  0.12330200  0.12571800  1
  O  O31  1  0.73472700  0.12330700  0.62575400  1
  O  O32  1  0.19923700  0.42133800  0.25680800  1
  O  O33  1  0.19923000  0.42133000  0.75680500  1
  O  O34  1  0.80075300  0.57865400  0.24319000  1
  O  O35  1  0.80080100  0.57868500  0.74320500  1
  O  O36  1  0.57867700  0.80078900  0.24320500  1
  O  O37  1  0.57865100  0.80075500  0.74318900  1
  O  O38  1  0.42133600  0.19923600  0.25680500  1
  O  O39  1  0.42133100  0.19922200  0.75680700  1
  O  O40  1  0.79763400  0.57542000  0.01521000  1
  O  O41  1  0.79761000  0.57540400  0.51522800  1
  O  O42  1  0.57539300  0.79758800  0.01523000  1
  O  O43  1  0.57542400  0.79764200  0.51521200  1
  O  O44  1  0.20237000  0.42458900  0.48478500  1
  O  O45  1  0.20239100  0.42459500  0.98478100  1
  O  O46  1  0.42458800  0.20238400  0.48478200  1
  O  O47  1  0.42459200  0.20237000  0.98478200  1
