# generated using pymatgen
data_LiFe2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24973900
_cell_length_b   9.15696600
_cell_length_c   13.39875000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(P2O7)2
_chemical_formula_sum   'Li4 Fe8 P16 O56'
_cell_volume   1012.17613750
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Li  Li3  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe4  1  0.35377900  0.98296800  0.09645500  1
  Fe  Fe5  1  0.14622100  0.98296800  0.40354500  1
  Fe  Fe6  1  0.64622100  0.51703200  0.59645500  1
  Fe  Fe7  1  0.85377900  0.51703200  0.90354500  1
  Fe  Fe8  1  0.64622100  0.01703200  0.90354500  1
  Fe  Fe9  1  0.85377900  0.01703200  0.59645500  1
  Fe  Fe10  1  0.35377900  0.48296800  0.40354500  1
  Fe  Fe11  1  0.14622100  0.48296800  0.09645500  1
  P  P12  1  0.05073700  0.17658500  0.20087900  1
  P  P13  1  0.44926300  0.17658500  0.29912100  1
  P  P14  1  0.94926300  0.32341500  0.70087900  1
  P  P15  1  0.55073700  0.32341500  0.79912100  1
  P  P16  1  0.94926300  0.82341500  0.79912100  1
  P  P17  1  0.55073700  0.82341500  0.70087900  1
  P  P18  1  0.05073700  0.67658500  0.29912100  1
  P  P19  1  0.44926300  0.67658500  0.20087900  1
  P  P20  1  0.70811300  0.76963900  0.06680200  1
  P  P21  1  0.79188700  0.76963900  0.43319800  1
  P  P22  1  0.29188700  0.73036100  0.56680200  1
  P  P23  1  0.20811300  0.73036100  0.93319800  1
  P  P24  1  0.29188700  0.23036100  0.93319800  1
  P  P25  1  0.20811300  0.23036100  0.56680200  1
  P  P26  1  0.70811300  0.26963900  0.43319800  1
  P  P27  1  0.79188700  0.26963900  0.06680200  1
  O  O28  1  0.12916900  0.06800200  0.12742900  1
  O  O29  1  0.37083100  0.06800200  0.37257100  1
  O  O30  1  0.87083100  0.43199800  0.62742900  1
  O  O31  1  0.62916900  0.43199800  0.87257100  1
  O  O32  1  0.87083100  0.93199800  0.87257100  1
  O  O33  1  0.62916900  0.93199800  0.62742900  1
  O  O34  1  0.12916900  0.56800200  0.37257100  1
  O  O35  1  0.37083100  0.56800200  0.12742900  1
  O  O36  1  0.86425300  0.19965900  0.16806500  1
  O  O37  1  0.63574700  0.19965900  0.33193500  1
  O  O38  1  0.13574700  0.30034100  0.66806500  1
  O  O39  1  0.36425300  0.30034100  0.83193500  1
  O  O40  1  0.13574700  0.80034100  0.83193500  1
  O  O41  1  0.36425300  0.80034100  0.66806500  1
  O  O42  1  0.86425300  0.69965900  0.33193500  1
  O  O43  1  0.63574700  0.69965900  0.16806500  1
  O  O44  1  0.04447700  0.12010200  0.30768900  1
  O  O45  1  0.45552300  0.12010200  0.19231100  1
  O  O46  1  0.95552300  0.37989800  0.80768900  1
  O  O47  1  0.54447700  0.37989800  0.69231100  1
  O  O48  1  0.95552300  0.87989800  0.69231100  1
  O  O49  1  0.54447700  0.87989800  0.80768900  1
  O  O50  1  0.04447700  0.62010200  0.19231100  1
  O  O51  1  0.45552300  0.62010200  0.30768900  1
  O  O52  1  0.12613900  0.32773000  0.19102400  1
  O  O53  1  0.37386100  0.32773000  0.30897600  1
  O  O54  1  0.87386100  0.17227000  0.69102400  1
  O  O55  1  0.62613900  0.17227000  0.80897600  1
  O  O56  1  0.87386100  0.67227000  0.80897600  1
  O  O57  1  0.62613900  0.67227000  0.69102400  1
  O  O58  1  0.12613900  0.82773000  0.30897600  1
  O  O59  1  0.37386100  0.82773000  0.19102400  1
  O  O60  1  0.86748900  0.84317900  0.08761700  1
  O  O61  1  0.63251100  0.84317900  0.41238300  1
  O  O62  1  0.13251100  0.65682100  0.58761700  1
  O  O63  1  0.36748900  0.65682100  0.91238300  1
  O  O64  1  0.13251100  0.15682100  0.91238300  1
  O  O65  1  0.36748900  0.15682100  0.58761700  1
  O  O66  1  0.86748900  0.34317900  0.41238300  1
  O  O67  1  0.63251100  0.34317900  0.08761700  1
  O  O68  1  0.58300400  0.88672800  0.02828600  1
  O  O69  1  0.91699600  0.88672800  0.47171400  1
  O  O70  1  0.41699600  0.61327200  0.52828600  1
  O  O71  1  0.08300400  0.61327200  0.97171400  1
  O  O72  1  0.41699600  0.11327200  0.97171400  1
  O  O73  1  0.08300400  0.11327200  0.52828600  1
  O  O74  1  0.58300400  0.38672800  0.47171400  1
  O  O75  1  0.91699600  0.38672800  0.02828600  1
  O  O76  1  0.71524000  0.63841500  0.99602000  1
  O  O77  1  0.78476000  0.63841500  0.50398000  1
  O  O78  1  0.28476000  0.86158500  0.49602000  1
  O  O79  1  0.21524000  0.86158500  0.00398000  1
  O  O80  1  0.28476000  0.36158500  0.00398000  1
  O  O81  1  0.21524000  0.36158500  0.49602000  1
  O  O82  1  0.71524000  0.13841500  0.50398000  1
  O  O83  1  0.78476000  0.13841500  0.99602000  1
