data_[Cs4K8Mn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.8644]
_cell_length_b [8.8644]
_cell_length_c [14.5318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsK2MnCl5]
_chemical_formula_sum '[Cs4 K8 Mn4 Cl20]'
_cell_volume [1141.8831]
_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  0.2500  1.0
  K  K1  8  0.1680  0.6680  0.5000  1.0
  Mn  Mn2  4  0.0000  0.5000  0.2500  1.0
  Cl  Cl3  16  0.1430  0.3570  0.6461  1.0
  Cl  Cl4  4  0.0000  0.0000  0.0000  1.0
]