# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85180780
_cell_length_b   7.85180780
_cell_length_c   10.64840804
_cell_angle_alpha   88.69369118
_cell_angle_beta   88.69369118
_cell_angle_gamma   117.11548947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   583.77110605
_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  0.71571400  0.28089800  0.00017500  1
  Li  Li1  1  0.71910200  0.28428600  0.49982500  1
  Li  Li2  1  0.28428600  0.71910200  0.99982500  1
  Li  Li3  1  0.28089800  0.71571400  0.50017500  1
  Fe  Fe4  1  0.68804400  0.68860000  0.89122600  1
  Fe  Fe5  1  0.31195600  0.31140000  0.10877400  1
  Fe  Fe6  1  0.68860000  0.68804400  0.39122600  1
  Fe  Fe7  1  0.31140000  0.31195600  0.60877400  1
  P  P8  1  0.29693000  0.08911600  0.86562300  1
  P  P9  1  0.09919500  0.31955800  0.86448800  1
  P  P10  1  0.91088400  0.70307000  0.63437700  1
  P  P11  1  0.70307000  0.91088400  0.13437700  1
  P  P12  1  0.68044200  0.90080500  0.63551200  1
  P  P13  1  0.90080500  0.68044200  0.13551200  1
  P  P14  1  0.31955800  0.09919500  0.36448800  1
  P  P15  1  0.08911600  0.29693000  0.36562300  1
  O  O16  1  0.09669300  0.10862200  0.87935100  1
  O  O17  1  0.09975300  0.70784300  0.12291500  1
  O  O18  1  0.90024700  0.29215700  0.87708500  1
  O  O19  1  0.70784300  0.09975300  0.62291500  1
  O  O20  1  0.10862200  0.09669300  0.37935100  1
  O  O21  1  0.20047400  0.40317200  0.73476700  1
  O  O22  1  0.81254500  0.61416500  0.76397100  1
  O  O23  1  0.40317200  0.20047400  0.23476700  1
  O  O24  1  0.90330700  0.89137800  0.12064900  1
  O  O25  1  0.56357000  0.76480000  0.52870000  1
  O  O26  1  0.38583500  0.18745500  0.73602900  1
  O  O27  1  0.79952600  0.59682800  0.26523300  1
  O  O28  1  0.42077100  0.21572200  0.97346500  1
  O  O29  1  0.59682800  0.79952600  0.76523300  1
  O  O30  1  0.61416500  0.81254500  0.26397100  1
  O  O31  1  0.21572200  0.42077100  0.47346500  1
  O  O32  1  0.78427800  0.57922900  0.52653500  1
  O  O33  1  0.76480000  0.56357000  0.02870000  1
  O  O34  1  0.43643000  0.23520000  0.47130000  1
  O  O35  1  0.57922900  0.78427800  0.02653500  1
  O  O36  1  0.25017900  0.88434500  0.87976900  1
  O  O37  1  0.11565500  0.74982100  0.62023100  1
  O  O38  1  0.29215700  0.90024700  0.37708500  1
  O  O39  1  0.18745500  0.38583500  0.23602900  1
  O  O40  1  0.23520000  0.43643000  0.97130000  1
  O  O41  1  0.88434500  0.25017900  0.37976900  1
  O  O42  1  0.89137800  0.90330700  0.62064900  1
  O  O43  1  0.74982100  0.11565500  0.12023100  1
