data_[Li4Fe4P4O16]
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 [Cc]
_cell_length_a [5.1427]
_cell_length_b [8.9365]
_cell_length_c [8.2033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiFePO4]
_chemical_formula_sum '[Li4 Fe4 P4 O16]'
_cell_volume [375.8153]
_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  0.3888  0.4227  0.4633  1.0
  Fe  Fe1  4  0.4530  0.2026  0.7963  1.0
  P  P2  4  0.4780  0.1563  0.2054  1.0
  O  O3  4  0.0680  0.2146  0.8250  1.0
  O  O4  4  0.0936  0.3072  0.5404  1.0
  O  O5  4  0.1001  0.4914  0.7736  1.0
  O  O6  4  0.1762  0.1484  0.1874  1.0
]