# generated using pymatgen
data_LiFe4(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70705207
_cell_length_b   8.70705207
_cell_length_c   6.61124532
_cell_angle_alpha   72.03655054
_cell_angle_beta   72.03655054
_cell_angle_gamma   94.39465139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(PO4)3
_chemical_formula_sum   'Li2 Fe8 P6 O24'
_cell_volume   445.29880346
_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  0.00308000  0.98649100  0.25034000  1
  Li  Li1  1  0.98649100  0.00308000  0.75034000  1
  Fe  Fe2  1  0.05593000  0.37501000  0.37277500  1
  Fe  Fe3  1  0.37501000  0.05593000  0.87277500  1
  Fe  Fe4  1  0.73691300  0.27278400  0.24178800  1
  Fe  Fe5  1  0.48619100  0.47270800  0.46342000  1
  Fe  Fe6  1  0.27278400  0.73691300  0.74178800  1
  Fe  Fe7  1  0.47270800  0.48619100  0.96342000  1
  Fe  Fe8  1  0.62891300  0.94078100  0.13343900  1
  Fe  Fe9  1  0.94078100  0.62891300  0.63343900  1
  P  P10  1  0.32992500  0.11913200  0.37792400  1
  P  P11  1  0.11913200  0.32992500  0.87792400  1
  P  P12  1  0.30078400  0.69975200  0.24842200  1
  P  P13  1  0.69975200  0.30078400  0.74842200  1
  P  P14  1  0.88542500  0.66389900  0.12697300  1
  P  P15  1  0.66389900  0.88542500  0.62697300  1
  O  O16  1  0.39064400  0.04511600  0.19042500  1
  O  O17  1  0.15109800  0.14967900  0.41425500  1
  O  O18  1  0.04511600  0.39064400  0.69042500  1
  O  O19  1  0.14967900  0.15109800  0.91425500  1
  O  O20  1  0.67773000  0.01356000  0.39217900  1
  O  O21  1  0.45818000  0.28497900  0.30597100  1
  O  O22  1  0.28567000  0.51999200  0.23731100  1
  O  O23  1  0.01356000  0.67773000  0.89217900  1
  O  O24  1  0.27560400  0.80997800  0.03498700  1
  O  O25  1  0.18812400  0.72126900  0.46487300  1
  O  O26  1  0.28497900  0.45818000  0.80597100  1
  O  O27  1  0.51999200  0.28567000  0.73731100  1
  O  O28  1  0.47706000  0.71655800  0.26687800  1
  O  O29  1  0.72639900  0.53241000  0.18808300  1
  O  O30  1  0.80997800  0.27560400  0.53498700  1
  O  O31  1  0.72126900  0.18812400  0.96487300  1
  O  O32  1  0.99705900  0.32859100  0.10757600  1
  O  O33  1  0.71655800  0.47706000  0.76687800  1
  O  O34  1  0.53241000  0.72639900  0.68808300  1
  O  O35  1  0.32859100  0.99705900  0.60757600  1
  O  O36  1  0.84889800  0.84015600  0.09904000  1
  O  O37  1  0.96034700  0.60324200  0.31412100  1
  O  O38  1  0.84015600  0.84889800  0.59904000  1
  O  O39  1  0.60324200  0.96034700  0.81412100  1
