# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12090300
_cell_length_b   7.26896500
_cell_length_c   9.61627965
_cell_angle_alpha   73.93617745
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   545.48977294
_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  0.51913900  0.69364900  0.79069500  1
  Li  Li1  1  0.98086100  0.69364900  0.29069500  1
  Li  Li2  1  0.01913900  0.30635100  0.70930500  1
  Li  Li3  1  0.48086100  0.30635100  0.20930500  1
  Fe  Fe4  1  0.06374900  0.69602700  0.76067200  1
  Fe  Fe5  1  0.43625100  0.69602700  0.26067200  1
  Fe  Fe6  1  0.56374900  0.30397300  0.73932800  1
  Fe  Fe7  1  0.93625100  0.30397300  0.23932800  1
  P  P8  1  0.25651400  0.89117300  0.96148200  1
  P  P9  1  0.24348600  0.89117300  0.46148200  1
  P  P10  1  0.76107600  0.67592100  0.54775300  1
  P  P11  1  0.26107600  0.32407900  0.95224700  1
  P  P12  1  0.73892400  0.67592100  0.04775300  1
  P  P13  1  0.23892400  0.32407900  0.45224700  1
  P  P14  1  0.75651400  0.10882700  0.53851800  1
  P  P15  1  0.74348600  0.10882700  0.03851800  1
  O  O16  1  0.59428500  0.16951600  0.59860700  1
  O  O17  1  0.41015100  0.86081300  0.88411600  1
  O  O18  1  0.72620900  0.88306800  0.56747900  1
  O  O19  1  0.73566300  0.67328300  0.89314200  1
  O  O20  1  0.23893200  0.80343800  0.62791800  1
  O  O21  1  0.90571500  0.16951600  0.09860700  1
  O  O22  1  0.08984900  0.86081300  0.38411600  1
  O  O23  1  0.61456800  0.56183500  0.63556700  1
  O  O24  1  0.77379100  0.88306800  0.06747900  1
  O  O25  1  0.42147000  0.39691000  0.86538200  1
  O  O26  1  0.76433700  0.67328300  0.39314200  1
  O  O27  1  0.26106800  0.80343800  0.12791800  1
  O  O28  1  0.92147000  0.60309000  0.63461800  1
  O  O29  1  0.11456800  0.43816500  0.86443300  1
  O  O30  1  0.88543200  0.56183500  0.13556700  1
  O  O31  1  0.07853000  0.39691000  0.36538200  1
  O  O32  1  0.73893200  0.19656200  0.87208200  1
  O  O33  1  0.23566300  0.32671700  0.60685800  1
  O  O34  1  0.57853000  0.60309000  0.13461800  1
  O  O35  1  0.22620900  0.11693200  0.93252100  1
  O  O36  1  0.38543200  0.43816500  0.36443300  1
  O  O37  1  0.91015100  0.13918700  0.61588400  1
  O  O38  1  0.09428500  0.83048400  0.90139300  1
  O  O39  1  0.76106800  0.19656200  0.37208200  1
  O  O40  1  0.26433700  0.32671700  0.10685800  1
  O  O41  1  0.27379100  0.11693200  0.43252100  1
  O  O42  1  0.58984900  0.13918700  0.11588400  1
  O  O43  1  0.40571500  0.83048400  0.40139300  1
