# generated using pymatgen
data_Li5FeO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21092181
_cell_length_b   10.34839075
_cell_length_c   9.76035124
_cell_angle_alpha   63.73766043
_cell_angle_beta   83.42376667
_cell_angle_gamma   101.41039802
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5FeO4F
_chemical_formula_sum   'Li20 Fe4 O16 F4'
_cell_volume   450.27722830
_cell_formula_units_Z   4
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  0.76768700  0.93419600  0.52675500  1
  Li  Li1  1  0.26759300  0.93428600  0.02673300  1
  Li  Li2  1  0.41666500  0.43436400  0.28895500  1
  Li  Li3  1  0.91668100  0.43440300  0.78895600  1
  Li  Li4  1  0.55677700  0.56086500  0.68145400  1
  Li  Li5  1  0.05666500  0.56081200  0.18150300  1
  Li  Li6  1  0.25392600  0.06073700  0.50783600  1
  Li  Li7  1  0.75396500  0.06079500  0.00783300  1
  Li  Li8  1  0.79375500  0.74543400  0.39304800  1
  Li  Li9  1  0.29371500  0.74546500  0.89306000  1
  Li  Li10  1  0.20162000  0.24557600  0.61133600  1
  Li  Li11  1  0.70166700  0.24558600  0.11135400  1
  Li  Li12  1  0.70851800  0.45532000  0.48142500  1
  Li  Li13  1  0.20844500  0.45537000  0.98142800  1
  Li  Li14  1  0.49675200  0.95522800  0.31347900  1
  Li  Li15  1  0.99675000  0.95523600  0.81352000  1
  Li  Li16  1  0.55782700  0.04319100  0.74247200  1
  Li  Li17  1  0.05783100  0.04316400  0.24243500  1
  Li  Li18  1  0.23562300  0.54322400  0.46431400  1
  Li  Li19  1  0.73568900  0.54330600  0.96433700  1
  Fe  Fe20  1  0.32293900  0.23187900  0.91779000  1
  Fe  Fe21  1  0.65895000  0.73175200  0.10027900  1
  Fe  Fe22  1  0.82256400  0.23157400  0.41794400  1
  Fe  Fe23  1  0.15913400  0.73177600  0.60022800  1
  O  O24  1  0.26653300  0.11128700  0.82856100  1
  O  O25  1  0.76635800  0.11115500  0.32859100  1
  O  O26  1  0.59491900  0.61111600  0.31019000  1
  O  O27  1  0.09499300  0.61112200  0.81024000  1
  O  O28  1  0.51691000  0.76060100  0.53948300  1
  O  O29  1  0.01682100  0.76062500  0.03945100  1
  O  O30  1  0.49366500  0.26047800  0.44980300  1
  O  O31  1  0.99392400  0.26060000  0.94977600  1
  O  O32  1  0.93288600  0.59093600  0.56293300  1
  O  O33  1  0.43274400  0.59095600  0.06294200  1
  O  O34  1  0.90825900  0.09100200  0.59589200  1
  O  O35  1  0.40838400  0.09121900  0.09579300  1
  O  O36  1  0.11834000  0.90342900  0.44375400  1
  O  O37  1  0.61823400  0.90347000  0.94374100  1
  O  O38  1  0.03449800  0.40315200  0.40310800  1
  O  O39  1  0.53474400  0.40341600  0.90303900  1
  F  F40  1  0.37027000  0.41895500  0.62998500  1
  F  F41  1  0.87019200  0.41896700  0.12995900  1
  F  F42  1  0.79879700  0.91904100  0.20108900  1
  F  F43  1  0.29886300  0.91908800  0.70112100  1
