data_[Cs4Mn16Cl36]
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 [I4_1/a]
_cell_length_a [11.6582]
_cell_length_b [11.6582]
_cell_length_c [10.3045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [CsMn4Cl9]
_chemical_formula_sum '[Cs4 Mn16 Cl36]'
_cell_volume [1400.5258]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Mn  Mn1  16  0.1039  0.2063  0.4934  1
  Cl  Cl2  16  0.0959  0.7097  0.5060  1
  Cl  Cl3  16  0.1049  0.1982  0.2565  1
  Cl  Cl4  4  0.0000  0.0000  0.5000  1
]