data_[K1Mn1I6]
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 [P-1]
_cell_length_a [6.4641]
_cell_length_b [7.7559]
_cell_length_c [7.8493]
_cell_angle_alpha [105.1609]
_cell_angle_beta [107.6324]
_cell_angle_gamma [103.9275]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMnI6]
_chemical_formula_sum '[K1 Mn1 I6]'
_cell_volume [339.3887]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  I  I2  2  0.2188  0.6423  0.0438  1.0
  I  I3  2  0.2428  0.0728  0.7923  1.0
  I  I4  2  0.3386  0.2419  0.3244  1.0
]