data_[Li3Fe2P4H1O14]
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 [5.2227]
_cell_length_b [5.2849]
_cell_length_c [10.9126]
_cell_angle_alpha [91.8375]
_cell_angle_beta [94.5661]
_cell_angle_gamma [107.4544]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Fe2P4HO14]
_chemical_formula_sum '[Li3 Fe2 P4 H1 O14]'
_cell_volume [285.9268]
_cell_formula_units_Z [1]
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  0.2233  0.7383  0.0094  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Fe  Fe2  2  0.1118  0.3903  0.7911  1
  P  P3  2  0.2792  0.2447  0.1696  1
  P  P4  2  0.4056  0.6517  0.3751  1
  H  H5  1  0.5000  0.5000  0.5000  1
  O  O6  2  0.1194  0.4161  0.1058  1
  O  O7  2  0.1195  0.6726  0.3785  1
  O  O8  2  0.1284  0.9492  0.1411  1
  O  O9  2  0.2975  0.3087  0.3158  1
  O  O10  2  0.3942  0.2533  0.7208  1
  O  O11  2  0.4205  0.0504  0.5420  1
  O  O12  2  0.4361  0.6944  0.8752  1
]