data_[Li4Fe16P12O48]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pccn]
_cell_length_a [8.3578]
_cell_length_b [13.6589]
_cell_length_c [10.1122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [56]
_chemical_formula_structural [LiFe4(PO4)3]
_chemical_formula_sum '[Li4 Fe16 P12 O48]'
_cell_volume [1154.4032]
_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  4  0.2500  0.7500  0.1989  1
  Fe  Fe1  8  0.0762  0.1487  0.5038  1
  Fe  Fe2  8  0.1135  0.0467  0.8026  1
  P  P3  8  0.2391  0.5699  0.5678  1
  P  P4  4  0.2500  0.2500  0.2491  1
  O  O5  8  0.0992  0.2322  0.6655  1
  O  O6  8  0.1155  0.5896  0.6781  1
  O  O7  8  0.1417  0.6578  0.0745  1
  O  O8  8  0.1616  0.0256  0.6040  1
  O  O9  8  0.1637  0.5597  0.4308  1
  O  O10  8  0.2245  0.1585  0.3417  1
]