# generated using pymatgen
data_LiFe2P2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02681599
_cell_length_b   8.63524306
_cell_length_c   7.78195758
_cell_angle_alpha   89.98775967
_cell_angle_beta   104.77225861
_cell_angle_gamma   90.00124904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2P2HO8
_chemical_formula_sum   'Li2 Fe4 P4 H2 O16'
_cell_volume   326.63224345
_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  0.00844300  0.99604100  0.49707800  1
  Li  Li1  1  0.49156200  0.49602500  0.00290300  1
  Fe  Fe2  1  0.37946100  0.84259600  0.83602900  1
  Fe  Fe3  1  0.89345700  0.65398800  0.32051200  1
  Fe  Fe4  1  0.12070700  0.34251600  0.66413500  1
  Fe  Fe5  1  0.60637400  0.15397200  0.17939300  1
  P  P6  1  0.12530700  0.35605200  0.27926400  1
  P  P7  1  0.37474200  0.85610300  0.22072500  1
  P  P8  1  0.63681400  0.14570800  0.77764800  1
  P  P9  1  0.86313400  0.64566800  0.72238300  1
  H  H10  1  0.52352900  0.51911800  0.50333300  1
  H  H11  1  0.97656400  0.01910700  0.99667200  1
  O  O12  1  0.08494600  0.53158000  0.81939300  1
  O  O13  1  0.41470100  0.03174800  0.68061100  1
  O  O14  1  0.00745900  0.20345500  0.33383100  1
  O  O15  1  0.49244600  0.70361700  0.16591800  1
  O  O16  1  0.14869300  0.82919200  0.31919800  1
  O  O17  1  0.35135300  0.32927100  0.18076000  1
  O  O18  1  0.24914800  0.44947900  0.45904500  1
  O  O19  1  0.25100200  0.94974100  0.04102600  1
  O  O20  1  0.50858400  0.29536100  0.82788600  1
  O  O21  1  0.99168800  0.79533400  0.67231200  1
  O  O22  1  0.63665100  0.67124500  0.81867100  1
  O  O23  1  0.86317300  0.17128600  0.68126400  1
  O  O24  1  0.77609600  0.06546100  0.96982400  1
  O  O25  1  0.72382100  0.56567800  0.53010300  1
  O  O26  1  0.60846200  0.95930400  0.33008200  1
  O  O27  1  0.89168100  0.45936300  0.17000100  1
