data_[Li20Mn4Cl32]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.5632]
_cell_length_b [10.5632]
_cell_length_c [10.5632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Li5MnCl8]
_chemical_formula_sum '[Li20 Mn4 Cl32]'
_cell_volume [1178.6650]
_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  16  0.1426  0.1426  0.6426  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.2500  0.2500  0.2500  1.0
  Cl  Cl3  16  0.1268  0.1268  0.3732  1.0
  Cl  Cl4  16  0.1303  0.1303  0.8697  1.0
]