# generated using pymatgen
data_LiFe3P3(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66479106
_cell_length_b   8.66479106
_cell_length_c   6.56650981
_cell_angle_alpha   73.68775206
_cell_angle_beta   73.68775206
_cell_angle_gamma   93.40586454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe3P3(HO6)2
_chemical_formula_sum   'Li2 Fe6 P6 H4 O24'
_cell_volume   448.96414338
_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  0.00130100  0.99869900  0.75000000  1
  Li  Li1  1  0.99869900  0.00130100  0.25000000  1
  Fe  Fe2  1  0.95467400  0.62822200  0.62003200  1
  Fe  Fe3  1  0.62822200  0.95467400  0.12003200  1
  Fe  Fe4  1  0.28810700  0.71189300  0.75000000  1
  Fe  Fe5  1  0.71189300  0.28810700  0.25000000  1
  Fe  Fe6  1  0.37177800  0.04532600  0.87996800  1
  Fe  Fe7  1  0.04532600  0.37177800  0.37996800  1
  P  P8  1  0.68392800  0.90083700  0.60355100  1
  P  P9  1  0.90083700  0.68392800  0.10355100  1
  P  P10  1  0.67734600  0.32265400  0.75000000  1
  P  P11  1  0.32265400  0.67734600  0.25000000  1
  P  P12  1  0.09916300  0.31607200  0.89644900  1
  P  P13  1  0.31607200  0.09916300  0.39644900  1
  H  H14  1  0.62027000  0.62969700  0.68723200  1
  H  H15  1  0.62969700  0.62027000  0.18723200  1
  H  H16  1  0.37030300  0.37973000  0.81276800  1
  H  H17  1  0.37973000  0.37030300  0.31276800  1
  O  O18  1  0.85960900  0.86521300  0.57609400  1
  O  O19  1  0.61635800  0.96738600  0.79801600  1
  O  O20  1  0.86521300  0.85960900  0.07609400  1
  O  O21  1  0.96738600  0.61635800  0.29801600  1
  O  O22  1  0.56440200  0.73616400  0.65053500  1
  O  O23  1  0.32241000  0.98001900  0.61905800  1
  O  O24  1  0.71568400  0.50493900  0.73090000  1
  O  O25  1  0.73616400  0.56440200  0.15053500  1
  O  O26  1  0.71167900  0.21855400  0.96412400  1
  O  O27  1  0.98001900  0.32241000  0.11905800  1
  O  O28  1  0.78144600  0.28832100  0.53587600  1
  O  O29  1  0.50493900  0.71568400  0.23090000  1
  O  O30  1  0.49506100  0.28431600  0.76910000  1
  O  O31  1  0.21855400  0.71167900  0.46412400  1
  O  O32  1  0.01998100  0.67759000  0.88094200  1
  O  O33  1  0.28832100  0.78144600  0.03587600  1
  O  O34  1  0.26383600  0.43559800  0.84946500  1
  O  O35  1  0.28431600  0.49506100  0.26910000  1
  O  O36  1  0.67759000  0.01998100  0.38094200  1
  O  O37  1  0.43559800  0.26383600  0.34946500  1
  O  O38  1  0.03261400  0.38364200  0.70198400  1
  O  O39  1  0.13478700  0.14039100  0.92390600  1
  O  O40  1  0.38364200  0.03261400  0.20198400  1
  O  O41  1  0.14039100  0.13478700  0.42390600  1
