data_[Cs12Mn6Pd6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3230]
_cell_length_b [7.3230]
_cell_length_c [36.2262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2MnPdCl6]
_chemical_formula_sum '[Cs12 Mn6 Pd6 Cl36]'
_cell_volume [1682.4236]
_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
[
  Cs  Cs0  6  0.0000  0.0000  0.1248  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2921  1.0
  Mn  Mn2  6  0.0000  0.0000  0.4113  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0058  0.5029  0.2921  1.0
  Cl  Cl6  18  0.0227  0.5113  0.1223  1.0
]