data_[Li8Mn4O4F12]
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 [9.8265]
_cell_length_b [5.8054]
_cell_length_c [5.2610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2MnOF3]
_chemical_formula_sum '[Li8 Mn4 O4 F12]'
_cell_volume [300.1224]
_cell_formula_units_Z [4]
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  0.1816  0.1482  0.9909  1.0
  Li  Li1  4  0.2068  0.8660  0.4720  1.0
  Mn  Mn2  2  0.0000  0.3672  0.5000  1.0
  Mn  Mn3  2  0.0000  0.6142  0.0000  1.0
  O  O4  4  0.0975  0.3904  0.1908  1.0
  F  F5  4  0.1313  0.8530  0.1259  1.0
  F  F6  4  0.1343  0.6117  0.6643  1.0
  F  F7  4  0.1405  0.1398  0.6358  1.0
]