# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07703221
_cell_length_b   4.82762213
_cell_length_c   6.96158233
_cell_angle_alpha   70.54057685
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li2 Fe2 P4 O14'
_cell_volume   255.94602695
_cell_formula_units_Z   2
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  0.86084321  0.82705388  0.66463828  1
  Li  Li1  1  0.36084321  0.17294612  0.33536172  1
  Fe  Fe2  1  0.00207249  0.21949331  0.26550646  1
  Fe  Fe3  1  0.50207249  0.78050669  0.73449354  1
  P  P4  1  0.78702440  0.79451430  0.08083707  1
  P  P5  1  0.28702440  0.20548570  0.91916293  1
  P  P6  1  0.18183528  0.59685531  0.52459157  1
  P  P7  1  0.68183528  0.40314469  0.47540843  1
  O  O8  1  0.65496450  0.60267587  0.24224724  1
  O  O9  1  0.82689520  0.06374342  0.13536771  1
  O  O10  1  0.32689520  0.93625658  0.86463229  1
  O  O11  1  0.69937501  0.86754174  0.87730694  1
  O  O12  1  0.03750282  0.80898046  0.48190827  1
  O  O13  1  0.34703410  0.75320964  0.51245875  1
  O  O14  1  0.68281052  0.60512961  0.60127658  1
  O  O15  1  0.53750282  0.19101954  0.51809173  1
  O  O16  1  0.15496450  0.39732413  0.75775276  1
  O  O17  1  0.43980246  0.39104954  0.91485876  1
  O  O18  1  0.93980246  0.60895046  0.08514124  1
  O  O19  1  0.18281052  0.39487039  0.39872342  1
  O  O20  1  0.84703410  0.24679036  0.48754125  1
  O  O21  1  0.19937501  0.13245826  0.12269306  1
