# generated using pymatgen
data_LiFe2P2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01307700
_cell_length_b   8.48918600
_cell_length_c   15.09170569
_cell_angle_alpha   85.75347014
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2P2HO8
_chemical_formula_sum   'Li4 Fe8 P8 H4 O32'
_cell_volume   640.49365404
_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  0.01674800  0.00000000  0.75000000  1
  Li  Li1  1  0.98325200  0.00000000  0.25000000  1
  Li  Li2  1  0.84998800  0.50000000  0.75000000  1
  Li  Li3  1  0.15001200  0.50000000  0.25000000  1
  Fe  Fe4  1  0.23762200  0.91594600  0.50000000  1
  Fe  Fe5  1  0.76237800  0.91594600  0.00000000  1
  Fe  Fe6  1  0.75628800  0.57855100  0.00184600  1
  Fe  Fe7  1  0.24371200  0.57855100  0.50184600  1
  Fe  Fe8  1  0.75628800  0.42144900  0.49815400  1
  Fe  Fe9  1  0.24371200  0.42144900  0.99815400  1
  Fe  Fe10  1  0.23762200  0.08405400  0.00000000  1
  Fe  Fe11  1  0.76237800  0.08405400  0.50000000  1
  P  P12  1  0.26186500  0.76858700  0.88922800  1
  P  P13  1  0.73813500  0.76858700  0.38922800  1
  P  P14  1  0.73200900  0.73602100  0.61984000  1
  P  P15  1  0.26799100  0.73602100  0.11984000  1
  P  P16  1  0.73200900  0.26397900  0.88016000  1
  P  P17  1  0.26799100  0.26397900  0.38016000  1
  P  P18  1  0.26186500  0.23141300  0.61077200  1
  P  P19  1  0.73813500  0.23141300  0.11077200  1
  H  H20  1  0.44105600  0.76244700  0.75443900  1
  H  H21  1  0.55894400  0.76244700  0.25443900  1
  H  H22  1  0.44105600  0.23755300  0.74556100  1
  H  H23  1  0.55894400  0.23755300  0.24556100  1
  O  O24  1  0.40734400  0.91319700  0.92169000  1
  O  O25  1  0.59265600  0.91319700  0.42169000  1
  O  O26  1  0.89125300  0.89051900  0.59272000  1
  O  O27  1  0.96656200  0.76226800  0.92027700  1
  O  O28  1  0.25585500  0.79321800  0.78405100  1
  O  O29  1  0.10874700  0.89051900  0.09272000  1
  O  O30  1  0.03343800  0.76226800  0.42027700  1
  O  O31  1  0.69825300  0.71478000  0.72200300  1
  O  O32  1  0.74414500  0.79321800  0.28405100  1
  O  O33  1  0.44903200  0.74107800  0.57776700  1
  O  O34  1  0.41120400  0.61262900  0.91655400  1
  O  O35  1  0.30174700  0.71478000  0.22200300  1
  O  O36  1  0.55096800  0.74107800  0.07776700  1
  O  O37  1  0.89358400  0.58777200  0.59055300  1
  O  O38  1  0.58879600  0.61262900  0.41655400  1
  O  O39  1  0.89358400  0.41222800  0.90944700  1
  O  O40  1  0.10641600  0.58777200  0.09055300  1
  O  O41  1  0.41120400  0.38737100  0.58344600  1
  O  O42  1  0.10641600  0.41222800  0.40944700  1
  O  O43  1  0.44903200  0.25892200  0.92223300  1
  O  O44  1  0.69825300  0.28522000  0.77799700  1
  O  O45  1  0.58879600  0.38737100  0.08344600  1
  O  O46  1  0.55096800  0.25892200  0.42223300  1
  O  O47  1  0.25585500  0.20678200  0.71594900  1
  O  O48  1  0.30174700  0.28522000  0.27799700  1
  O  O49  1  0.96656200  0.23773200  0.57972300  1
  O  O50  1  0.89125300  0.10948100  0.90728000  1
  O  O51  1  0.74414500  0.20678200  0.21594900  1
  O  O52  1  0.03343800  0.23773200  0.07972300  1
  O  O53  1  0.10874700  0.10948100  0.40728000  1
  O  O54  1  0.40734400  0.08680300  0.57831000  1
  O  O55  1  0.59265600  0.08680300  0.07831000  1
