# generated using pymatgen
data_LiFe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79956788
_cell_length_b   4.79956788
_cell_length_c   19.52748307
_cell_angle_alpha   89.26848291
_cell_angle_beta   89.26848291
_cell_angle_gamma   66.89652725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(PO4)3
_chemical_formula_sum   'Li2 Fe4 P6 O24'
_cell_volume   413.70619898
_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  0.99986100  0.99986100  0.33443300  1
  Li  Li1  1  0.00013900  0.00013900  0.66556700  1
  Fe  Fe2  1  0.00542400  0.00542400  0.83163900  1
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.99457600  0.99457600  0.16836100  1
  P  P6  1  0.64885500  0.64885500  0.75406900  1
  P  P7  1  0.35114500  0.35114500  0.24593100  1
  P  P8  1  0.65127600  0.65127600  0.08264000  1
  P  P9  1  0.35578800  0.35578800  0.57917700  1
  P  P10  1  0.64421200  0.64421200  0.42082300  1
  P  P11  1  0.34872400  0.34872400  0.91736000  1
  O  O12  1  0.29782400  0.77753400  0.75711200  1
  O  O13  1  0.22246600  0.70217600  0.24288800  1
  O  O14  1  0.76760100  0.76760100  0.81548800  1
  O  O15  1  0.29319700  0.77392000  0.42404200  1
  O  O16  1  0.76119700  0.76119700  0.01768600  1
  O  O17  1  0.70680300  0.22608000  0.57595800  1
  O  O18  1  0.77753400  0.29782400  0.75711200  1
  O  O19  1  0.70564700  0.22079600  0.91760200  1
  O  O20  1  0.77392000  0.29319700  0.42404200  1
  O  O21  1  0.74006600  0.74006600  0.35183500  1
  O  O22  1  0.22608000  0.70680300  0.57595800  1
  O  O23  1  0.25729100  0.25729100  0.31582300  1
  O  O24  1  0.70217600  0.22246600  0.24288800  1
  O  O25  1  0.77920400  0.29435300  0.08239800  1
  O  O26  1  0.75633300  0.75633300  0.14756000  1
  O  O27  1  0.22079600  0.70564700  0.91760200  1
  O  O28  1  0.29435300  0.77920400  0.08239800  1
  O  O29  1  0.24366700  0.24366700  0.85244000  1
  O  O30  1  0.74270900  0.74270900  0.68417700  1
  O  O31  1  0.23880300  0.23880300  0.98231400  1
  O  O32  1  0.23881400  0.23881400  0.51687800  1
  O  O33  1  0.23239900  0.23239900  0.18451200  1
  O  O34  1  0.25993400  0.25993400  0.64816500  1
  O  O35  1  0.76118600  0.76118600  0.48312200  1
