data_[Li4Fe4P16O48]
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 [P2_12_12_1]
_cell_length_a [9.1036]
_cell_length_b [9.4837]
_cell_length_c [10.4845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [LiFe(PO3)4]
_chemical_formula_sum '[Li4 Fe4 P16 O48]'
_cell_volume [905.1852]
_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  0.1458  0.2523  0.6875  1
  Fe  Fe1  4  0.0012  0.2632  0.2873  1
  P  P2  4  0.0006  0.9838  0.4827  1
  P  P3  4  0.0050  0.5504  0.6125  1
  P  P4  4  0.1977  0.5448  0.3886  1
  P  P5  4  0.2028  0.0321  0.1062  1
  O  O6  4  0.0009  0.8768  0.3775  1
  O  O7  4  0.0040  0.1506  0.7800  1
  O  O8  4  0.0075  0.1372  0.4454  1
  O  O9  4  0.0312  0.3976  0.6260  1
  O  O10  4  0.1253  0.9472  0.5863  1
  O  O11  4  0.1268  0.6145  0.5115  1
  O  O12  4  0.1329  0.4555  0.9219  1
  O  O13  4  0.1452  0.3966  0.3645  1
  O  O14  4  0.1465  0.0760  0.9694  1
  O  O15  4  0.1503  0.1346  0.2059  1
  O  O16  4  0.1743  0.8773  0.1364  1
  O  O17  4  0.1781  0.6481  0.2790  1
]