data_[Li2Fe2P4H10O18]
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 [7.5586]
_cell_length_b [7.6333]
_cell_length_c [8.0120]
_cell_angle_alpha [82.3633]
_cell_angle_beta [65.1044]
_cell_angle_gamma [68.7531]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiFeP2H5O9]
_chemical_formula_sum '[Li2 Fe2 P4 H10 O18]'
_cell_volume [390.7067]
_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  0.2167  0.8339  0.7592  1
  Fe  Fe1  2  0.2268  0.2602  0.0355  1
  P  P2  2  0.0411  0.3667  0.7423  1
  P  P3  2  0.3142  0.9184  0.2752  1
  H  H4  2  0.0806  0.7944  0.4549  1
  H  H5  2  0.2921  0.1393  0.4316  1
  H  H6  2  0.3084  0.4518  0.5455  1
  H  H7  2  0.3629  0.4213  0.2715  1
  H  H8  2  0.4968  0.4735  0.7289  1
  O  O9  2  0.0635  0.2352  0.9016  1
  O  O10  2  0.0808  0.2587  0.5744  1
  O  O11  2  0.1623  0.0407  0.1918  1
  O  O12  2  0.1721  0.4747  0.1897  1
  O  O13  2  0.1946  0.8337  0.4633  1
  O  O14  2  0.2124  0.4678  0.6807  1
  O  O15  2  0.4112  0.0419  0.3322  1
  O  O16  2  0.4713  0.4096  0.3175  1
  O  O17  2  0.4908  0.7575  0.1501  1
]