# generated using pymatgen
data_LiFe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56434321
_cell_length_b   6.75373283
_cell_length_c   9.80623460
_cell_angle_alpha   90.00127225
_cell_angle_beta   90.08460386
_cell_angle_gamma   120.96423623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)3
_chemical_formula_sum   'Li2 Fe2 P6 O18'
_cell_volume   372.79076497
_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  0.68241600  0.48062700  0.52642500  1
  Li  Li1  1  0.68269000  0.20190700  0.02646200  1
  Fe  Fe2  1  0.32663200  0.66129200  0.99689600  1
  Fe  Fe3  1  0.32659100  0.66571500  0.49689500  1
  P  P4  1  0.03772200  0.76447400  0.74883800  1
  P  P5  1  0.24420000  0.96923100  0.24333900  1
  P  P6  1  0.03796200  0.27332800  0.24878800  1
  P  P7  1  0.24413200  0.27489900  0.74340500  1
  P  P8  1  0.72162000  0.95864300  0.75255300  1
  P  P9  1  0.72169200  0.76298900  0.25248300  1
  O  O10  1  0.07438300  0.65522100  0.87195400  1
  O  O11  1  0.01288200  0.65058300  0.61215100  1
  O  O12  1  0.37307200  0.97055200  0.11568800  1
  O  O13  1  0.32958600  0.94081300  0.37894700  1
  O  O14  1  0.01309000  0.36253800  0.11216000  1
  O  O15  1  0.07471500  0.41911700  0.37196500  1
  O  O16  1  0.32945500  0.38872400  0.87896100  1
  O  O17  1  0.37302800  0.40241700  0.61571300  1
  O  O18  1  0.57016800  0.90499300  0.62824300  1
  O  O19  1  0.62137600  0.97687700  0.88685000  1
  O  O20  1  0.23940700  0.20600500  0.24305400  1
  O  O21  1  0.23923500  0.03325600  0.74324800  1
  O  O22  1  0.62132500  0.64446700  0.38677000  1
  O  O23  1  0.57037200  0.66533000  0.12812200  1
  O  O24  1  0.79914600  0.77015200  0.77398800  1
  O  O25  1  0.96691100  0.77432800  0.22109100  1
  O  O26  1  0.79936700  0.02906200  0.27392400  1
  O  O27  1  0.96682500  0.19246000  0.72109100  1
