# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03304812
_cell_length_b   9.47270432
_cell_length_c   8.74791004
_cell_angle_alpha   109.66988508
_cell_angle_beta   87.07604071
_cell_angle_gamma   94.74481287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li4 Fe4 P8 O28'
_cell_volume   546.74774939
_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  0.00000400  0.99999600  0.99998500  1
  Li  Li1  1  0.50000800  0.50000500  0.49999700  1
  Li  Li2  1  0.74998300  0.74998100  0.24995800  1
  Li  Li3  1  0.25004000  0.25003200  0.75004500  1
  Fe  Fe4  1  0.92148000  0.23040500  0.46408700  1
  Fe  Fe5  1  0.07849000  0.76959000  0.53588600  1
  Fe  Fe6  1  0.42143300  0.73036500  0.96409700  1
  Fe  Fe7  1  0.57856400  0.26962600  0.03593100  1
  P  P8  1  0.58624100  0.02154300  0.24147800  1
  P  P9  1  0.08622700  0.52155200  0.74152800  1
  P  P10  1  0.91378100  0.47844700  0.25846200  1
  P  P11  1  0.41376000  0.97844900  0.75852600  1
  P  P12  1  0.17796700  0.94849900  0.26124700  1
  P  P13  1  0.67796700  0.44853700  0.76128400  1
  P  P14  1  0.32204200  0.55146600  0.23872300  1
  P  P15  1  0.82201800  0.05150200  0.73874400  1
  O  O16  1  0.55653900  0.14993300  0.18167100  1
  O  O17  1  0.05651500  0.64994000  0.68171100  1
  O  O18  1  0.94348400  0.35006300  0.31828500  1
  O  O19  1  0.44345600  0.85007500  0.81834600  1
  O  O20  1  0.63724400  0.87311600  0.10763400  1
  O  O21  1  0.13720900  0.37314100  0.60765700  1
  O  O22  1  0.86279700  0.62686200  0.39233600  1
  O  O23  1  0.36276700  0.12688200  0.89236600  1
  O  O24  1  0.59494900  0.59996100  0.79181500  1
  O  O25  1  0.09495200  0.09996100  0.29183300  1
  O  O26  1  0.90504200  0.90004600  0.70816400  1
  O  O27  1  0.40504800  0.40003300  0.20819000  1
  O  O28  1  0.19579800  0.86906300  0.07567100  1
  O  O29  1  0.69583500  0.36909600  0.57569600  1
  O  O30  1  0.30416000  0.63090900  0.42431000  1
  O  O31  1  0.80419800  0.13093300  0.92432400  1
  O  O32  1  0.39076700  0.98258000  0.33058500  1
  O  O33  1  0.89075900  0.48262000  0.83064100  1
  O  O34  1  0.10924900  0.51738700  0.16935300  1
  O  O35  1  0.60922600  0.01740700  0.66941500  1
  O  O36  1  0.23097300  0.56017200  0.87486600  1
  O  O37  1  0.73099100  0.06020100  0.37486400  1
  O  O38  1  0.26900400  0.93978300  0.62514600  1
  O  O39  1  0.76903100  0.43982800  0.12512400  1
  O  O40  1  0.43554700  0.64931900  0.15304700  1
  O  O41  1  0.93551600  0.14937000  0.65305900  1
  O  O42  1  0.06446900  0.85063700  0.34694800  1
  O  O43  1  0.56446800  0.35068300  0.84696300  1
