data_[Li16Mn4O12F4]
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 [Cmc2_1]
_cell_length_a [8.2209]
_cell_length_b [7.0119]
_cell_length_c [6.4338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li4MnO3F]
_chemical_formula_sum '[Li16 Mn4 O12 F4]'
_cell_volume [370.8716]
_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  8  0.1529  0.2269  0.7392  1.0
  Li  Li1  8  0.1614  0.4920  0.4976  1.0
  Mn  Mn2  4  0.0000  0.1340  0.2778  1.0
  O  O3  8  0.2147  0.0454  0.2526  1.0
  O  O4  4  0.0000  0.2848  0.5142  1.0
  F  F5  4  0.0000  0.2903  0.9792  1.0
]