# generated using pymatgen
data_LiFeP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09562600
_cell_length_b   6.94341100
_cell_length_c   10.79784300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP(H6O5)2
_chemical_formula_sum   'Li2 Fe2 P2 H24 O20'
_cell_volume   457.01262169
_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  0.46201000  0.50000000  0.93893700  1
  Li  Li1  1  0.53799000  0.00000000  0.43893700  1
  Fe  Fe2  1  0.38727000  0.50000000  0.64445900  1
  Fe  Fe3  1  0.61273000  0.00000000  0.14445900  1
  P  P4  1  0.01329800  0.50000000  0.26432900  1
  P  P5  1  0.98670200  0.00000000  0.76432900  1
  H  H6  1  0.73809000  0.50000000  0.47176800  1
  H  H7  1  0.83916500  0.50000000  0.61129100  1
  H  H8  1  0.98777000  0.61823700  0.76779600  1
  H  H9  1  0.22494600  0.71107700  0.45457900  1
  H  H10  1  0.82661100  0.66385100  0.07403400  1
  H  H11  1  0.63014100  0.68471100  0.29997000  1
  H  H12  1  0.37745700  0.75111600  0.28983000  1
  H  H13  1  0.62254300  0.74888400  0.78983000  1
  H  H14  1  0.36985900  0.81528900  0.79997000  1
  H  H15  1  0.17338900  0.83614900  0.57403400  1
  H  H16  1  0.77505400  0.78892300  0.95457900  1
  H  H17  1  0.01223000  0.88176300  0.26779600  1
  H  H18  1  0.16083500  0.00000000  0.11129100  1
  H  H19  1  0.26191000  0.00000000  0.97176800  1
  H  H20  1  0.01223000  0.11823700  0.26779600  1
  H  H21  1  0.77505400  0.21107700  0.95457900  1
  H  H22  1  0.17338900  0.16385100  0.57403400  1
  H  H23  1  0.36985900  0.18471100  0.79997000  1
  H  H24  1  0.62254300  0.25111600  0.78983000  1
  H  H25  1  0.37745700  0.24888400  0.28983000  1
  H  H26  1  0.63014100  0.31528900  0.29997000  1
  H  H27  1  0.82661100  0.33614900  0.07403400  1
  H  H28  1  0.22494600  0.28892300  0.45457900  1
  H  H29  1  0.98777000  0.38176300  0.76779600  1
  O  O30  1  0.00644900  0.50000000  0.12170900  1
  O  O31  1  0.77258700  0.50000000  0.31694800  1
  O  O32  1  0.04619400  0.50000000  0.72416100  1
  O  O33  1  0.70073700  0.50000000  0.56190700  1
  O  O34  1  0.13040100  0.68353800  0.31496500  1
  O  O35  1  0.46756700  0.69613600  0.79467500  1
  O  O36  1  0.29243200  0.75247200  0.53588200  1
  O  O37  1  0.70756800  0.74752800  0.03588200  1
  O  O38  1  0.53243300  0.80386400  0.29467500  1
  O  O39  1  0.86959900  0.81646200  0.81496500  1
  O  O40  1  0.99355100  0.00000000  0.62170900  1
  O  O41  1  0.22741300  0.00000000  0.81694800  1
  O  O42  1  0.29926300  0.00000000  0.06190700  1
  O  O43  1  0.95380600  0.00000000  0.22416100  1
  O  O44  1  0.86959900  0.18353800  0.81496500  1
  O  O45  1  0.53243300  0.19613600  0.29467500  1
  O  O46  1  0.70756800  0.25247200  0.03588200  1
  O  O47  1  0.29243200  0.24752800  0.53588200  1
  O  O48  1  0.46756700  0.30386400  0.79467500  1
  O  O49  1  0.13040100  0.31646200  0.31496500  1
