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 [C2]
_cell_length_a [9.6073]
_cell_length_b [4.9623]
_cell_length_c [6.3633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiFePO4]
_chemical_formula_sum '[Li4 Fe4 P4 O16]'
_cell_volume [302.8194]
_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  0.1779  0.5020  0.2479  1
  Fe  Fe1  2  0.0000  0.9606  0.0000  1
  Fe  Fe2  2  0.0000  0.9837  0.5000  1
  P  P3  4  0.1872  0.5065  0.7437  1
  O  O4  4  0.1325  0.6370  0.9419  1
  O  O5  4  0.1355  0.6521  0.5406  1
  O  O6  4  0.1409  0.2051  0.7339  1
  O  O7  4  0.1476  0.0512  0.2413  1
]