# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26930775
_cell_length_b   6.26930775
_cell_length_c   13.95699430
_cell_angle_alpha   77.66384696
_cell_angle_beta   77.66384696
_cell_angle_gamma   80.91071438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   519.89035646
_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  0.21405900  0.22130000  0.65566000  1
  Li  Li1  1  0.77870000  0.78594100  0.84434000  1
  Li  Li2  1  0.22130000  0.21405900  0.15566000  1
  Li  Li3  1  0.78594100  0.77870000  0.34434000  1
  Fe  Fe4  1  0.41290000  0.15419800  0.35258300  1
  Fe  Fe5  1  0.15419800  0.41290000  0.85258300  1
  Fe  Fe6  1  0.84580200  0.58710000  0.14741700  1
  Fe  Fe7  1  0.58710000  0.84580200  0.64741700  1
  P  P8  1  0.27805700  0.86824300  0.86630100  1
  P  P9  1  0.34525500  0.73595300  0.08730400  1
  P  P10  1  0.26404700  0.65474500  0.41269600  1
  P  P11  1  0.86824300  0.27805700  0.36630100  1
  P  P12  1  0.13175700  0.72194300  0.63369900  1
  P  P13  1  0.73595300  0.34525500  0.58730400  1
  P  P14  1  0.65474500  0.26404700  0.91269600  1
  P  P15  1  0.72194300  0.13175700  0.13369900  1
  O  O16  1  0.09413500  0.72227900  0.87909100  1
  O  O17  1  0.17679000  0.56416000  0.11178900  1
  O  O18  1  0.27772100  0.90586500  0.62090900  1
  O  O19  1  0.48494100  0.79636000  0.79222700  1
  O  O20  1  0.08148200  0.71794400  0.35667200  1
  O  O21  1  0.19463900  0.10964900  0.83236900  1
  O  O22  1  0.35330500  0.84482800  0.96880400  1
  O  O23  1  0.37860000  0.41741000  0.41249900  1
  O  O24  1  0.58259000  0.62140000  0.08750100  1
  O  O25  1  0.28205600  0.91851800  0.14332800  1
  O  O26  1  0.15517200  0.64669500  0.53119600  1
  O  O27  1  0.56416000  0.17679000  0.61178900  1
  O  O28  1  0.89035100  0.80536100  0.66763100  1
  O  O29  1  0.20364000  0.51505900  0.70777300  1
  O  O30  1  0.79636000  0.48494100  0.29222700  1
  O  O31  1  0.10964900  0.19463900  0.33236900  1
  O  O32  1  0.43584000  0.82321000  0.38821000  1
  O  O33  1  0.84482800  0.35330500  0.46880400  1
  O  O34  1  0.71794400  0.08148200  0.85667200  1
  O  O35  1  0.41741000  0.37860000  0.91249900  1
  O  O36  1  0.62140000  0.58259000  0.58750100  1
  O  O37  1  0.64669500  0.15517200  0.03119600  1
  O  O38  1  0.80536100  0.89035100  0.16763100  1
  O  O39  1  0.91851800  0.28205600  0.64332800  1
  O  O40  1  0.51505900  0.20364000  0.20777300  1
  O  O41  1  0.72227900  0.09413500  0.37909100  1
  O  O42  1  0.82321000  0.43584000  0.88821100  1
  O  O43  1  0.90586500  0.27772100  0.12090900  1
