data_[Cs4Mn4Cu8I24]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8386]
_cell_length_b [14.7315]
_cell_length_c [7.7717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMn(CuI3)2]
_chemical_formula_sum '[Cs4 Mn4 Cu8 I24]'
_cell_volume [1680.5175]
_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  0.1205  0.2500  1.0
  Mn  Mn1  4  0.0000  0.2639  0.7500  1.0
  Cu  Cu2  8  0.2177  0.4367  0.2384  1.0
  I  I3  8  0.0585  0.3590  0.0577  1.0
  I  I4  8  0.1322  0.1435  0.7900  1.0
  I  I5  8  0.2328  0.4150  0.5782  1.0
]