data_[K18Mn6Cl36]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2781]
_cell_length_b [12.2781]
_cell_length_c [14.6292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K3MnCl6]
_chemical_formula_sum '[K18 Mn6 Cl36]'
_cell_volume [1909.9287]
_cell_formula_units_Z [6]
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  18  0.0478  0.7764  0.7026  1.0
  Mn  Mn1  3  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  3  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  18  0.0184  0.8483  0.9059  1.0
  Cl  Cl4  18  0.0317  0.8569  0.4051  1.0
]