# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99082940
_cell_length_b   8.99082940
_cell_length_c   9.96470854
_cell_angle_alpha   58.98368769
_cell_angle_beta   58.98368769
_cell_angle_gamma   49.49209477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   504.30992958
_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  0.83468900  0.16531100  0.25000000  1
  Li  Li1  1  0.16531100  0.83468900  0.75000000  1
  Fe  Fe2  1  0.28178000  0.71822000  0.25000000  1
  Fe  Fe3  1  0.71822000  0.28178000  0.75000000  1
  P  P4  1  0.67961000  0.04015600  0.11108500  1
  P  P5  1  0.27010100  0.43577000  0.16163100  1
  P  P6  1  0.56423000  0.72989900  0.33836900  1
  P  P7  1  0.95984400  0.32039000  0.38891500  1
  P  P8  1  0.04015600  0.67961000  0.61108500  1
  P  P9  1  0.43577000  0.27010100  0.66163100  1
  P  P10  1  0.72989900  0.56423000  0.83836900  1
  P  P11  1  0.32039000  0.95984400  0.88891500  1
  O  O12  1  0.15582400  0.59585000  0.03928000  1
  O  O13  1  0.45303100  0.23451300  0.10130000  1
  O  O14  1  0.76035500  0.02385900  0.21777400  1
  O  O15  1  0.65058100  0.85700800  0.16649600  1
  O  O16  1  0.20043200  0.94633300  0.07029000  1
  O  O17  1  0.14299200  0.34941900  0.33350400  1
  O  O18  1  0.97614100  0.23964500  0.28222600  1
  O  O19  1  0.51558300  0.63663800  0.28423400  1
  O  O20  1  0.36336200  0.48441700  0.21576600  1
  O  O21  1  0.76548700  0.54696900  0.39870000  1
  O  O22  1  0.40415000  0.84417600  0.46072000  1
  O  O23  1  0.05366700  0.79956800  0.42971000  1
  O  O24  1  0.94633300  0.20043200  0.57029000  1
  O  O25  1  0.59585000  0.15582400  0.53928000  1
  O  O26  1  0.23451300  0.45303100  0.60130000  1
  O  O27  1  0.63663800  0.51558300  0.78423400  1
  O  O28  1  0.48441700  0.36336200  0.71576600  1
  O  O29  1  0.02385900  0.76035500  0.71777400  1
  O  O30  1  0.85700800  0.65058200  0.66649600  1
  O  O31  1  0.79956800  0.05366700  0.92971000  1
  O  O32  1  0.34941900  0.14299200  0.83350400  1
  O  O33  1  0.23964500  0.97614100  0.78222600  1
  O  O34  1  0.54696900  0.76548700  0.89870000  1
  O  O35  1  0.84417600  0.40415000  0.96072000  1
