data_[K3Na9Mn12Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.5305]
_cell_length_b [14.5305]
_cell_length_c [10.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KNa3(MnCl3)4]
_chemical_formula_sum '[K3 Na9 Mn12 Cl36]'
_cell_volume [1875.3089]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Na  Na1  9  0.0000  0.5600  0.0000  1.0
  Mn  Mn2  9  0.0000  0.4385  0.5000  1.0
  Mn  Mn3  3  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  18  0.0493  0.2213  0.1672  1.0
  Cl  Cl5  9  0.0000  0.5949  0.5000  1.0
  Cl  Cl6  9  0.0000  0.8436  0.5000  1.0
]