data_[K4Mn4I16]
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 [9.8971]
_cell_length_b [15.0790]
_cell_length_c [7.6457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMnI4]
_chemical_formula_sum '[K4 Mn4 I16]'
_cell_volume [1000.1526]
_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  0.3873  0.2500  1.0
  Mn  Mn1  4  0.0000  0.0759  0.7500  1.0
  I  I2  8  0.1632  0.2043  0.7015  1.0
  I  I3  8  0.1908  0.0490  0.2234  1.0
]