data_[Li4Mn8O8F12]
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/m]
_cell_length_a [9.8609]
_cell_length_b [4.0560]
_cell_length_c [9.9481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMn2O2F3]
_chemical_formula_sum '[Li4 Mn8 O8 F12]'
_cell_volume [397.8865]
_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  0.1390  0.0000  0.0568  1.0
  Mn  Mn1  4  0.1437  0.0000  0.4401  1.0
  Mn  Mn2  4  0.1840  0.0000  0.7483  1.0
  O  O3  4  0.0504  0.0000  0.6127  1.0
  O  O4  4  0.1933  0.5000  0.4221  1.0
  F  F5  4  0.0451  0.0000  0.8806  1.0
  F  F6  4  0.1942  0.5000  0.0923  1.0
  F  F7  4  0.2421  0.0000  0.2584  1.0
]