data_[Cs4Mn2S2Cl12]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.1420]
_cell_length_b [7.1420]
_cell_length_c [11.8828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2MnSCl6]
_chemical_formula_sum '[Cs4 Mn2 S2 Cl12]'
_cell_volume [606.1172]
_cell_formula_units_Z [2]
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  0.5000  0.2500  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  S  S2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  8  0.2364  0.2364  0.5000  1
  Cl  Cl4  4  0.0000  0.0000  0.1946  1
]