data_[Li4Fe2P4H2O16]
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 [P2_1]
_cell_length_a [4.8631]
_cell_length_b [8.1231]
_cell_length_c [7.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li2FeP2HO8]
_chemical_formula_sum '[Li4 Fe2 P4 H2 O16]'
_cell_volume [290.9456]
_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  0.1457  0.1344  0.5902  1
  Li  Li1  2  0.3668  0.8673  0.9064  1
  Fe  Fe2  2  0.2505  0.5000  0.7453  1
  P  P3  2  0.1193  0.1557  0.9880  1
  P  P4  2  0.3820  0.8480  0.5184  1
  H  H5  2  0.2160  0.5113  0.2367  1
  O  O6  2  0.0070  0.5609  0.1971  1
  O  O7  2  0.1058  0.6765  0.9027  1
  O  O8  2  0.1325  0.9550  0.4094  1
  O  O9  2  0.2325  0.3210  0.9363  1
  O  O10  2  0.2648  0.6790  0.5618  1
  O  O11  2  0.3663  0.0458  0.0897  1
  O  O12  2  0.3995  0.3245  0.5982  1
  O  O13  2  0.4918  0.4407  0.3025  1
]