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 [Cmcm]
_cell_length_a [3.7960]
_cell_length_b [9.8496]
_cell_length_c [10.5756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiMn2O2F3]
_chemical_formula_sum '[Li4 Mn8 O8 F12]'
_cell_volume [395.4155]
_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  0.0000  0.3311  0.2500  1.0
  Mn  Mn1  8  0.0000  0.3441  0.5581  1.0
  O  O2  8  0.0000  0.1916  0.0569  1.0
  F  F3  8  0.0000  0.4720  0.1203  1.0
  F  F4  4  0.0000  0.2507  0.7500  1.0
]