data_[Li4Fe2P4O16]
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 [P-1]
_cell_length_a [4.8222]
_cell_length_b [5.8957]
_cell_length_c [10.2165]
_cell_angle_alpha [90.2043]
_cell_angle_beta [90.6625]
_cell_angle_gamma [91.6699]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Fe(PO4)2]
_chemical_formula_sum '[Li4 Fe2 P4 O16]'
_cell_volume [290.3126]
_cell_formula_units_Z [2]
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  2  0.4684  0.2575  0.7742  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.5000  0.5000  0.5000  1
  Fe  Fe3  2  0.0113  0.2487  0.2793  1
  P  P4  2  0.0713  0.7488  0.4064  1
  P  P5  2  0.4225  0.7546  0.8978  1
  O  O6  2  0.1900  0.9633  0.3364  1
  O  O7  2  0.1901  0.7454  0.5498  1
  O  O8  2  0.2098  0.5414  0.3369  1
  O  O9  2  0.2437  0.2704  0.5980  1
  O  O10  2  0.2609  0.2328  0.1213  1
  O  O11  2  0.2679  0.9588  0.8314  1
  O  O12  2  0.2755  0.5555  0.8200  1
  O  O13  2  0.3478  0.7516  0.0427  1
]