data_[Cs4Li4Mn8I24]
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 [15.6192]
_cell_length_b [15.1039]
_cell_length_c [8.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLi(MnI3)2]
_chemical_formula_sum '[Cs4 Li4 Mn8 I24]'
_cell_volume [1841.1572]
_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  0.1806  0.2500  1.0
  Li  Li1  4  0.0000  0.3327  0.7500  1.0
  Mn  Mn2  8  0.2272  0.0921  0.8183  1.0
  I  I3  8  0.0920  0.4012  0.0858  1.0
  I  I4  8  0.1508  0.0263  0.0451  1.0
  I  I5  8  0.1520  0.2497  0.7023  1.0
]