data_[Cs9Mn6I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2497]
_cell_length_b [8.2497]
_cell_length_c [32.9349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(MnI4)2]
_chemical_formula_sum '[Cs9 Mn6 I24]'
_cell_volume [1941.1734]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2095  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  6  0.0000  0.0000  0.4064  1.0
  I  I3  18  0.0096  0.5048  0.7698  1.0
  I  I4  6  0.0000  0.0000  0.3265  1.0
]