data_[Cs4Li8Mn4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8881]
_cell_length_b [14.8170]
_cell_length_c [8.5633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLi2MnI6]
_chemical_formula_sum '[Cs4 Li8 Mn4 I24]'
_cell_volume [1890.7195]
_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
[
  Cs  Cs0  4  0.0000  0.1702  0.2500  1.0
  Li  Li1  8  0.0683  0.4394  0.1281  1.0
  Mn  Mn2  4  0.0000  0.1793  0.7500  1.0
  I  I3  8  0.1148  0.2867  0.9553  1.0
  I  I4  8  0.1154  0.0678  0.7084  1.0
  I  I5  8  0.1171  0.4177  0.4670  1.0
]