data_[K2Mn4I12]
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/m]
_cell_length_a [15.5093]
_cell_length_b [5.4668]
_cell_length_c [10.1871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(MnI3)2]
_chemical_formula_sum '[K2 Mn4 I12]'
_cell_volume [844.2946]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  4  0.2406  0.0000  0.1643  1.0
  I  I2  4  0.0796  0.0000  0.1999  1.0
  I  I3  4  0.1561  0.5000  0.5955  1.0
  I  I4  4  0.2096  0.0000  0.8837  1.0
]