data_[Cs4Mn4Zn4Cl20]
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
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1008]
_cell_length_b [12.0591]
_cell_length_c [9.3148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMnZnCl5]
_chemical_formula_sum '[Cs4 Mn4 Zn4 Cl20]'
_cell_volume [945.5120]
_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  0.3459  0.7500  1.0
  Mn  Mn1  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.3051  0.2500  1.0
  Cl  Cl3  8  0.0984  0.1949  0.1036  1.0
  Cl  Cl4  8  0.1950  0.4151  0.4242  1.0
  Cl  Cl5  4  0.0000  0.0599  0.7500  1.0
]