data_[Li6Mn12O6F18]
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 [R3m]
_cell_length_a [6.3033]
_cell_length_b [6.3033]
_cell_length_c [15.5716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiMn2OF3]
_chemical_formula_sum '[Li6 Mn12 O6 F18]'
_cell_volume [535.8024]
_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  3  0.0000  0.0000  0.1425  1.0
  Li  Li1  3  0.0000  0.0000  0.4980  1.0
  Mn  Mn2  9  0.0074  0.5037  0.0012  1.0
  Mn  Mn3  3  0.0000  0.0000  0.8543  1.0
  O  O4  3  0.0000  0.0000  0.2695  1.0
  O  O5  3  0.0000  0.0000  0.7268  1.0
  F  F6  9  0.0138  0.5069  0.2447  1.0
  F  F7  9  0.1729  0.3458  0.0906  1.0
]