data_[K12Mn6Cd6Cl36]
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
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2240]
_cell_length_b [7.2240]
_cell_length_c [37.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2MnCdCl6]
_chemical_formula_sum '[K12 Mn6 Cd6 Cl36]'
_cell_volume [1680.9222]
_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  6  0.0000  0.0000  0.1290  1
  K  K1  6  0.0000  0.0000  0.2969  1
  Mn  Mn2  3  -0.0000  -0.0000  0.5000  1
  Mn  Mn3  3  0.0000  0.0000  0.0000  1
  Cd  Cd4  6  0.0000  0.0000  0.4137  1
  Cl  Cl5  18  0.0063  0.5031  0.1260  1
  Cl  Cl6  18  0.0069  0.5035  0.7058  1
]