data_[Li6Mn12O18F6]
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 [R-3m]
_cell_length_a [6.1466]
_cell_length_b [6.1466]
_cell_length_c [14.4764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiMn2O3F]
_chemical_formula_sum '[Li6 Mn12 O18 F6]'
_cell_volume [473.6535]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1063  1.0
  Mn  Mn1  9  0.0000  0.5000  0.0000  1.0
  Mn  Mn2  3  -0.0000  -0.0000  0.5000  1.0
  O  O3  18  0.0419  0.5210  0.2630  1.0
  F  F4  6  0.0000  0.0000  0.2374  1.0
]