# generated using pymatgen
data_Li4FeP6(HO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19961300
_cell_length_b   9.14630150
_cell_length_c   9.55049229
_cell_angle_alpha   62.01784411
_cell_angle_beta   71.88894712
_cell_angle_gamma   70.81520624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeP6(HO2)12
_chemical_formula_sum   'Li4 Fe1 P6 H12 O24'
_cell_volume   515.19495384
_cell_formula_units_Z   1
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  0.82977500  0.35302300  0.87448700  1
  Li  Li1  1  0.37002000  0.28771300  0.95671000  1
  Li  Li2  1  0.62998000  0.71228700  0.04329000  1
  Li  Li3  1  0.17022500  0.64697700  0.12551300  1
  Fe  Fe4  1  0.00000000  0.50000000  0.50000000  1
  P  P5  1  0.95859100  0.91730400  0.77085400  1
  P  P6  1  0.15292000  0.60847900  0.71469600  1
  P  P7  1  0.68851800  0.25204600  0.64105300  1
  P  P8  1  0.31148200  0.74795400  0.35894700  1
  P  P9  1  0.84708000  0.39152100  0.28530400  1
  P  P10  1  0.04140900  0.08269600  0.22914600  1
  H  H11  1  0.28398800  0.94987700  0.99873700  1
  H  H12  1  0.29511700  0.89024500  0.86943400  1
  H  H13  1  0.48931200  0.58228500  0.84793200  1
  H  H14  1  0.67819000  0.64924700  0.73491800  1
  H  H15  1  0.78434500  0.82401600  0.41680500  1
  H  H16  1  0.66459700  0.71454000  0.40748300  1
  H  H17  1  0.33540300  0.28546000  0.59251700  1
  H  H18  1  0.21565500  0.17598400  0.58319500  1
  H  H19  1  0.32181000  0.35075300  0.26508200  1
  H  H20  1  0.51068800  0.41771500  0.15206800  1
  H  H21  1  0.70488300  0.10975500  0.13056600  1
  H  H22  1  0.71601200  0.05012300  0.00126300  1
  O  O23  1  0.85764600  0.84802700  0.94562400  1
  O  O24  1  0.33752900  0.84835300  0.97443100  1
  O  O25  1  0.98820500  0.78246000  0.69560200  1
  O  O26  1  0.62723000  0.58177400  0.84777800  1
  O  O27  1  0.25709500  0.54752300  0.85152900  1
  O  O28  1  0.82193600  0.32554500  0.67409900  1
  O  O29  1  0.74555800  0.71221000  0.47678100  1
  O  O30  1  0.04463300  0.49267500  0.71418900  1
  O  O31  1  0.47625500  0.26257600  0.72915700  1
  O  O32  1  0.31642200  0.66284100  0.54917900  1
  O  O33  1  0.79419100  0.05945600  0.66449500  1
  O  O34  1  0.20580900  0.94054400  0.33550500  1
  O  O35  1  0.14859400  0.97747100  0.72401800  1
  O  O36  1  0.68357800  0.33715900  0.45082100  1
  O  O37  1  0.52374500  0.73742400  0.27084300  1
  O  O38  1  0.95536700  0.50732500  0.28581100  1
  O  O39  1  0.25444200  0.28779000  0.52321900  1
  O  O40  1  0.17806400  0.67445500  0.32590100  1
  O  O41  1  0.74290500  0.45247700  0.14847100  1
  O  O42  1  0.85140600  0.02252900  0.27598200  1
  O  O43  1  0.37277000  0.41822600  0.15222200  1
  O  O44  1  0.01179500  0.21754000  0.30439800  1
  O  O45  1  0.66247100  0.15164700  0.02556900  1
  O  O46  1  0.14235400  0.15197300  0.05437600  1
