data_[Li3Fe3O4F4]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0377]
_cell_length_b [3.0320]
_cell_length_c [9.8124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3Fe3(OF)4]
_chemical_formula_sum '[Li3 Fe3 O4 F4]'
_cell_volume [149.8763]
_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  1  0.4240  0.0000  0.0149  1.0
  Li  Li1  1  0.9410  0.5000  0.4701  1.0
  Li  Li2  1  0.9697  0.0000  0.8427  1.0
  Fe  Fe3  1  0.0017  0.5000  0.1556  1.0
  Fe  Fe4  1  0.4933  0.0000  0.3606  1.0
  Fe  Fe5  1  0.5131  0.5000  0.6307  1.0
  O  O6  1  0.2315  0.0000  0.2017  1.0
  O  O7  1  0.3053  0.5000  0.4592  1.0
  O  O8  1  0.7173  0.0000  0.5458  1.0
  O  O9  1  0.7341  0.5000  0.2937  1.0
  F  F10  1  0.2104  0.5000  0.9674  1.0
  F  F11  1  0.2902  0.0000  0.7189  1.0
  F  F12  1  0.7503  0.5000  0.7933  1.0
  F  F13  1  0.7922  0.0000  0.0453  1.0
]