data_[Li1Mn3O5F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9544]
_cell_length_b [5.1001]
_cell_length_c [5.3806]
_cell_angle_alpha [117.1127]
_cell_angle_beta [90.1127]
_cell_angle_gamma [117.0035]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiMn3O5F]
_chemical_formula_sum '[Li1 Mn3 O5 F1]'
_cell_volume [104.0156]
_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  0.0996  0.2461  0.3978  1.0
  Mn  Mn1  1  0.3415  0.6728  0.0181  1.0
  Mn  Mn2  1  0.6670  0.3159  0.9584  1.0
  Mn  Mn3  1  0.8749  0.7325  0.5647  1.0
  O  O4  1  0.0508  0.5117  0.2398  1.0
  O  O5  1  0.2749  0.2242  0.7734  1.0
  O  O6  1  0.5885  0.8457  0.7855  1.0
  O  O7  1  0.7091  0.7676  0.2477  1.0
  O  O8  1  0.9687  0.5331  0.7583  1.0
  F  F9  1  0.4249  0.1504  0.2563  1.0
]