data_[K2Mn10I24]
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 [7.3614]
_cell_length_b [12.7623]
_cell_length_c [15.4978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KMn5I12]
_chemical_formula_sum '[K2 Mn10 I24]'
_cell_volume [1455.9269]
_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  0.0000  1
  Mn  Mn1  4  0.0000  0.1665  0.5000  1
  Mn  Mn2  4  0.0000  0.3335  0.0000  1
  Mn  Mn3  2  0.0000  0.5000  0.5000  1
  I  I4  8  0.1646  0.6665  0.3958  1
  I  I5  8  0.2011  0.1985  0.1123  1
  I  I6  4  0.1050  0.5000  0.1126  1
  I  I7  4  0.1643  0.0000  0.3954  1
]