# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85226504
_cell_length_b   8.85226504
_cell_length_c   6.58688317
_cell_angle_alpha   73.66857999
_cell_angle_beta   73.66857999
_cell_angle_gamma   95.60324474
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(PO4)3
_chemical_formula_sum   'Li2 Fe8 P6 O24'
_cell_volume   466.51946102
_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  0.00689900  0.99310100  0.25000000  1
  Li  Li1  1  0.99310100  0.00689900  0.75000000  1
  Fe  Fe2  1  0.94413100  0.63242900  0.12565300  1
  Fe  Fe3  1  0.26728700  0.73271300  0.25000000  1
  Fe  Fe4  1  0.36757100  0.05586900  0.37434700  1
  Fe  Fe5  1  0.49939600  0.50060400  0.25000000  1
  Fe  Fe6  1  0.63242900  0.94413100  0.62565300  1
  Fe  Fe7  1  0.05586900  0.36757100  0.87434700  1
  Fe  Fe8  1  0.50060400  0.49939600  0.75000000  1
  Fe  Fe9  1  0.73271300  0.26728700  0.75000000  1
  P  P10  1  0.70561700  0.29438300  0.25000000  1
  P  P11  1  0.88877700  0.66907600  0.61828700  1
  P  P12  1  0.11122300  0.33092400  0.38171300  1
  P  P13  1  0.33092400  0.11122300  0.88171300  1
  P  P14  1  0.29438300  0.70561700  0.75000000  1
  P  P15  1  0.66907600  0.88877700  0.11828700  1
  O  O16  1  0.85103400  0.83921500  0.59576300  1
  O  O17  1  0.72852500  0.47435000  0.24287400  1
  O  O18  1  0.27147500  0.52565000  0.75712600  1
  O  O19  1  0.73452500  0.19342600  0.46317500  1
  O  O20  1  0.47435000  0.72852500  0.74287400  1
  O  O21  1  0.60711300  0.95973500  0.30758200  1
  O  O22  1  0.19342600  0.73452500  0.96317500  1
  O  O23  1  0.16078500  0.14896600  0.90423700  1
  O  O24  1  0.80657400  0.26547500  0.03682500  1
  O  O25  1  0.83921500  0.85103400  0.09576300  1
  O  O26  1  0.04026500  0.39288700  0.19241800  1
  O  O27  1  0.31843800  0.98990400  0.11300200  1
  O  O28  1  0.39288700  0.04026500  0.69241800  1
  O  O29  1  0.01009600  0.68156200  0.38699800  1
  O  O30  1  0.26275600  0.46299200  0.33448800  1
  O  O31  1  0.95973500  0.60711300  0.80758200  1
  O  O32  1  0.14896600  0.16078500  0.40423700  1
  O  O33  1  0.46299200  0.26275600  0.83448800  1
  O  O34  1  0.26547500  0.80657400  0.53682500  1
  O  O35  1  0.68156200  0.01009600  0.88699800  1
  O  O36  1  0.52565000  0.27147500  0.25712600  1
  O  O37  1  0.53700800  0.73724400  0.16551200  1
  O  O38  1  0.98990400  0.31843800  0.61300200  1
  O  O39  1  0.73724400  0.53700800  0.66551200  1
