data_[K4Mn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [13.4966]
_cell_length_b [8.1912]
_cell_length_c [11.4540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMnI5]
_chemical_formula_sum '[K4 Mn4 I20]'
_cell_volume [1214.8147]
_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
[
  K  K0  4  0.0000  0.4835  0.7500  1
  Mn  Mn1  4  0.0000  0.0000  0.0000  1
  I  I2  8  0.1084  0.2767  0.0575  1
  I  I3  8  0.1785  0.1765  0.5801  1
  I  I4  4  0.0000  0.0522  0.7500  1
]