# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00978397
_cell_length_b   7.00978397
_cell_length_c   9.61674460
_cell_angle_alpha   88.83306369
_cell_angle_beta   88.83306369
_cell_angle_gamma   109.49071347
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   445.18275833
_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  0.83426400  0.16573600  0.25000000  1
  Li  Li1  1  0.16573600  0.83426400  0.75000000  1
  Fe  Fe2  1  0.88513900  0.11486100  0.75000000  1
  Fe  Fe3  1  0.11486100  0.88513900  0.25000000  1
  P  P4  1  0.72992900  0.37678300  0.96692200  1
  P  P5  1  0.62321700  0.27007100  0.53307800  1
  P  P6  1  0.72117200  0.79892500  0.02820100  1
  P  P7  1  0.37678300  0.72992900  0.46692200  1
  P  P8  1  0.27007100  0.62321700  0.03307800  1
  P  P9  1  0.79892500  0.72117200  0.52820100  1
  P  P10  1  0.20107500  0.27882800  0.47179900  1
  P  P11  1  0.27882800  0.20107500  0.97179900  1
  O  O12  1  0.93577100  0.71914800  0.40628800  1
  O  O13  1  0.26964800  0.71500900  0.89421600  1
  O  O14  1  0.73035200  0.28499100  0.10578400  1
  O  O15  1  0.85327500  0.89377700  0.14892800  1
  O  O16  1  0.35231000  0.86912600  0.35130600  1
  O  O17  1  0.28085200  0.06422900  0.09371200  1
  O  O18  1  0.28499100  0.73035200  0.60578400  1
  O  O19  1  0.49842000  0.69104100  0.09341800  1
  O  O20  1  0.30895900  0.50158000  0.40658200  1
  O  O21  1  0.38029200  0.21285700  0.53183700  1
  O  O22  1  0.69104100  0.49842000  0.59341800  1
  O  O23  1  0.13087400  0.64769000  0.14869400  1
  O  O24  1  0.14672500  0.10622300  0.85107200  1
  O  O25  1  0.86912600  0.35231000  0.85130600  1
  O  O26  1  0.89377700  0.85327500  0.64892800  1
  O  O27  1  0.61970800  0.78714300  0.46816300  1
  O  O28  1  0.78714300  0.61970800  0.96816300  1
  O  O29  1  0.10622300  0.14672500  0.35107200  1
  O  O30  1  0.50158000  0.30895900  0.90658200  1
  O  O31  1  0.71500900  0.26964800  0.39421600  1
  O  O32  1  0.21285700  0.38029200  0.03183700  1
  O  O33  1  0.71914800  0.93577100  0.90628800  1
  O  O34  1  0.64769000  0.13087400  0.64869400  1
  O  O35  1  0.06422900  0.28085200  0.59371200  1
