# generated using pymatgen
data_LiFeP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60854360
_cell_length_b   10.74237727
_cell_length_c   7.50771400
_cell_angle_alpha   87.94157809
_cell_angle_beta   84.15044638
_cell_angle_gamma   95.20557005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2HO7
_chemical_formula_sum   'Li4 Fe4 P8 H4 O28'
_cell_volume   527.47254855
_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  0.11630900  0.53724000  0.31612800  1
  Li  Li1  1  0.11644800  0.03727700  0.81622100  1
  Li  Li2  1  0.88362500  0.46275600  0.68387000  1
  Li  Li3  1  0.88363000  0.96272800  0.18388100  1
  Fe  Fe4  1  0.35151900  0.69217700  0.58907100  1
  Fe  Fe5  1  0.64860300  0.30799600  0.41070700  1
  Fe  Fe6  1  0.35149300  0.19175900  0.08947300  1
  Fe  Fe7  1  0.64837200  0.80783200  0.91072800  1
  P  P8  1  0.15909000  0.77378100  0.99399000  1
  P  P9  1  0.15910800  0.27377200  0.49400500  1
  P  P10  1  0.84094400  0.22626500  0.00600000  1
  P  P11  1  0.84089100  0.72622700  0.50597700  1
  P  P12  1  0.38954800  0.41015200  0.76645900  1
  P  P13  1  0.38962500  0.91016000  0.26645400  1
  P  P14  1  0.61040400  0.58983700  0.23353200  1
  P  P15  1  0.61042900  0.08984900  0.73357800  1
  H  H16  1  0.16443300  0.57952700  0.92591900  1
  H  H17  1  0.16450900  0.07952300  0.42587200  1
  H  H18  1  0.83551000  0.42051000  0.07407400  1
  H  H19  1  0.83550400  0.92048500  0.57412100  1
  O  O20  1  0.08693300  0.62882600  0.02301700  1
  O  O21  1  0.08696400  0.12881300  0.52295300  1
  O  O22  1  0.91302400  0.37123300  0.97695900  1
  O  O23  1  0.91301600  0.87118900  0.47700900  1
  O  O24  1  0.01626800  0.14552900  0.02869900  1
  O  O25  1  0.01622200  0.64549700  0.52859200  1
  O  O26  1  0.98377600  0.85453100  0.97135500  1
  O  O27  1  0.98378200  0.35451100  0.47135900  1
  O  O28  1  0.23829600  0.80187200  0.18277100  1
  O  O29  1  0.23825000  0.30182800  0.68279400  1
  O  O30  1  0.76179300  0.19814200  0.81722000  1
  O  O31  1  0.76168600  0.69815800  0.31720000  1
  O  O32  1  0.27637900  0.52954100  0.75532900  1
  O  O33  1  0.27645700  0.02955600  0.25541100  1
  O  O34  1  0.72359800  0.47046600  0.24463700  1
  O  O35  1  0.72353200  0.97043400  0.74465200  1
  O  O36  1  0.33152700  0.79345300  0.84249900  1
  O  O37  1  0.33157700  0.29348300  0.34254200  1
  O  O38  1  0.66847800  0.20657100  0.15747200  1
  O  O39  1  0.66846100  0.70652400  0.65746100  1
  O  O40  1  0.39365300  0.36151600  0.95726200  1
  O  O41  1  0.39370800  0.86149000  0.45724600  1
  O  O42  1  0.60630700  0.63846500  0.04270300  1
  O  O43  1  0.60631000  0.13850100  0.54277000  1
  O  O44  1  0.40707400  0.58110300  0.35210800  1
  O  O45  1  0.40711400  0.08113500  0.85221300  1
  O  O46  1  0.59289500  0.41889300  0.64786200  1
  O  O47  1  0.59292900  0.91888600  0.14784700  1
