data_[Li16Mn8O16F8]
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 [C2]
_cell_length_a [5.1783]
_cell_length_b [8.9028]
_cell_length_c [9.8581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2MnO2F]
_chemical_formula_sum '[Li16 Mn8 O16 F8]'
_cell_volume [447.4255]
_cell_formula_units_Z [8]
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  4  0.2167  0.5491  0.2508  1
  Li  Li1  4  0.2470  0.3726  0.7557  1
  Li  Li2  2  0.0000  0.2068  0.5000  1
  Li  Li3  2  0.0000  0.3872  0.0000  1
  Li  Li4  2  0.0000  0.7098  0.0000  1
  Li  Li5  2  0.0000  0.8535  0.5000  1
  Mn  Mn6  4  0.2268  0.2124  0.2551  1
  Mn  Mn7  2  0.0000  0.0688  0.0000  1
  Mn  Mn8  2  0.0000  0.5222  0.5000  1
  O  O9  4  0.0654  0.6832  0.3741  1
  O  O10  4  0.1060  0.3658  0.3758  1
  O  O11  4  0.1131  0.2155  0.8657  1
  O  O12  4  0.1696  0.5644  0.8768  1
  F  F13  4  0.0902  0.0255  0.3769  1
  F  F14  4  0.1320  0.8875  0.8811  1
]