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 [C2/c]
_cell_length_a [11.8640]
_cell_length_b [12.5967]
_cell_length_c [6.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiFe4(PO4)3]
_chemical_formula_sum '[Li4 Fe16 P12 O48]'
_cell_volume [898.2321]
_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  0.0000  0.0296  0.2500  1
  Fe  Fe1  8  0.2126  0.1638  0.1142  1
  Fe  Fe2  4  0.0000  0.2849  0.2500  1
  Fe  Fe3  4  0.0000  0.4817  0.2500  1
  P  P4  8  0.2127  0.1090  0.6004  1
  P  P5  4  0.0000  0.3029  0.7500  1
  O  O6  8  0.0383  0.2358  0.9653  1
  O  O7  8  0.1065  0.3805  0.7670  1
  O  O8  8  0.1421  0.1653  0.3725  1
  O  O9  8  0.1495  0.0001  0.5869  1
  O  O10  8  0.1503  0.3990  0.3677  1
  O  O11  8  0.2104  0.1779  0.7953  1
]