data_[Li4Fe8P8H4O32]
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/c]
_cell_length_a [8.4892]
_cell_length_b [5.0131]
_cell_length_c [15.0917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiFe2P2HO8]
_chemical_formula_sum '[Li4 Fe8 P8 H4 O32]'
_cell_volume [640.4937]
_cell_formula_units_Z [4]
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  0.0000  0.0167  0.2500  1
  Li  Li1  2  0.5000  0.1500  0.7500  1
  Fe  Fe2  4  0.0841  0.2376  0.0000  1
  Fe  Fe3  4  0.4214  0.2437  0.0018  1
  P  P4  4  0.2314  0.2619  0.3892  1
  P  P5  4  0.2640  0.2680  0.6198  1
  H  H6  4  0.2376  0.4411  0.2544  1
  O  O7  4  0.0868  0.4073  0.4217  1
  O  O8  4  0.1095  0.1087  0.5927  1
  O  O9  4  0.2068  0.2559  0.2841  1
  O  O10  4  0.2377  0.0334  0.9203  1
  O  O11  4  0.2589  0.4490  0.0778  1
  O  O12  4  0.2852  0.3017  0.7220  1
  O  O13  4  0.3874  0.4112  0.4166  1
  O  O14  4  0.4122  0.1064  0.5906  1
]