data_[Li3Fe2P2O8F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2039]
_cell_length_b [5.3912]
_cell_length_c [7.4039]
_cell_angle_alpha [106.8779]
_cell_angle_beta [107.6508]
_cell_angle_gamma [97.1574]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3Fe2P2(O4F)2]
_chemical_formula_sum '[Li3 Fe2 P2 O8 F2]'
_cell_volume [184.1921]
_cell_formula_units_Z [1]
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  0.2503  0.5877  0.1507  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Fe  Fe2  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe3  1  0.0000  0.0000  0.5000  1.0
  P  P4  2  0.3370  0.6390  0.7597  1.0
  O  O5  2  0.1262  0.6639  0.8758  1.0
  O  O6  2  0.2759  0.7835  0.6068  1.0
  O  O7  2  0.3339  0.3420  0.6625  1.0
  O  O8  2  0.3629  0.2407  0.0779  1.0
  F  F9  2  0.1499  0.9160  0.2553  1.0
]