data_[Li4Mn5O9F1]
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 [5.1643]
_cell_length_b [5.3994]
_cell_length_c [7.8706]
_cell_angle_alpha [105.8834]
_cell_angle_beta [102.8682]
_cell_angle_gamma [102.6061]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li4Mn5O9F]
_chemical_formula_sum '[Li4 Mn5 O9 F1]'
_cell_volume [196.4496]
_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  0.1140  0.1816  0.6880  1.0
  Li  Li1  1  0.4932  0.9581  0.4719  1.0
  Li  Li2  1  0.7162  0.4236  0.9222  1.0
  Li  Li3  1  0.8986  0.8119  0.3065  1.0
  Mn  Mn4  1  0.0080  0.9888  0.0058  1.0
  Mn  Mn5  1  0.2012  0.4024  0.3947  1.0
  Mn  Mn6  1  0.3896  0.7928  0.8052  1.0
  Mn  Mn7  1  0.6006  0.1850  0.2013  1.0
  Mn  Mn8  1  0.7923  0.5926  0.5986  1.0
  O  O9  1  0.0024  0.6336  0.8422  1.0
  O  O10  1  0.1398  0.7951  0.5681  1.0
  O  O11  1  0.2774  0.0327  0.2666  1.0
  O  O12  1  0.3542  0.1406  0.9508  1.0
  O  O13  1  0.4381  0.4573  0.6542  1.0
  O  O14  1  0.5561  0.5931  0.3713  1.0
  O  O15  1  0.6640  0.8055  0.0287  1.0
  O  O16  1  0.8636  0.2126  0.4383  1.0
  O  O17  1  0.9387  0.3427  0.1460  1.0
  F  F18  1  0.7510  0.0416  0.7373  1.0
]