data_[Cs18Mn12Cl54]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [12.6193]
_cell_length_b [12.6193]
_cell_length_c [19.1203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Cs3Mn2Cl9]
_chemical_formula_sum '[Cs18 Mn12 Cl54]'
_cell_volume [2636.9092]
_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  18  0.0000  0.3402  0.7500  1
  Mn  Mn1  12  0.0000  0.0000  0.1633  1
  Cl  Cl2  36  0.0011  0.1587  0.8985  1
  Cl  Cl3  18  0.0000  0.1488  0.2500  1
]