data_[Li2Fe4P4O16]
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 [Cm]
_cell_length_a [8.1470]
_cell_length_b [5.4104]
_cell_length_c [6.4083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiFe2(PO4)2]
_chemical_formula_sum '[Li2 Fe4 P4 O16]'
_cell_volume [282.4088]
_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  0.3232  0.0000  0.2615  1.0
  Fe  Fe1  2  0.4914  0.5000  0.9960  1.0
  Fe  Fe2  2  0.4941  0.5000  0.5167  1.0
  P  P3  2  0.1506  0.5000  0.2492  1.0
  P  P4  2  0.3452  0.0000  0.7644  1.0
  O  O5  4  0.0316  0.2676  0.2407  1.0
  O  O6  4  0.4570  0.2360  0.7734  1.0
  O  O7  2  0.2347  0.0000  0.9592  1.0
  O  O8  2  0.2459  0.0000  0.5579  1.0
  O  O9  2  0.2507  0.5000  0.4507  1.0
  O  O10  2  0.2594  0.5000  0.0572  1.0
]