data_[Li2Fe2P6H16O26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5971]
_cell_length_b [8.6275]
_cell_length_c [9.6005]
_cell_angle_alpha [100.9991]
_cell_angle_beta [91.1255]
_cell_angle_gamma [107.1162]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiFeP3H8O13]
_chemical_formula_sum '[Li2 Fe2 P6 H16 O26]'
_cell_volume [588.4072]
_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  2  0.2860  0.5982  0.6912  1
  Fe  Fe1  1  0.0000  0.5000  0.0000  1
  Fe  Fe2  1  0.5000  0.0000  0.5000  1
  P  P3  2  0.0101  0.9984  0.2203  1
  P  P4  2  0.1977  0.3555  0.2427  1
  P  P5  2  0.2844  0.2752  0.9399  1
  H  H6  2  0.1135  0.8250  0.4550  1
  H  H7  2  0.1901  0.6890  0.3677  1
  H  H8  2  0.2012  0.8126  0.0523  1
  H  H9  2  0.2422  0.1316  0.5812  1
  H  H10  2  0.3385  0.7042  0.0359  1
  H  H11  2  0.3446  0.2472  0.4744  1
  H  H12  2  0.3889  0.0053  0.2462  1
  H  H13  2  0.4664  0.0947  0.7700  1
  O  O14  2  0.0218  0.1899  0.2223  1
  O  O15  2  0.0587  0.0454  0.6433  1
  O  O16  2  0.1133  0.4890  0.2223  1
  O  O17  2  0.1484  0.0866  0.9107  1
  O  O18  2  0.1834  0.3846  0.8910  1
  O  O19  2  0.1872  0.9688  0.1753  1
  O  O20  2  0.2104  0.7708  0.4587  1
  O  O21  2  0.2194  0.7102  0.9932  1
  O  O22  2  0.3203  0.3801  0.3747  1
  O  O23  2  0.3204  0.3146  0.1114  1
  O  O24  2  0.3634  0.1779  0.5415  1
  O  O25  2  0.4657  0.2762  0.8816  1
  O  O26  2  0.4858  0.9912  0.7149  1
]