data_[Cs4K4Mn4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3673]
_cell_length_b [14.5136]
_cell_length_c [6.6490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsKMnS3]
_chemical_formula_sum '[Cs4 K4 Mn4 S12]'
_cell_volume [700.7272]
_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  0.2453  0.7500  1.0
  K  K1  4  0.0000  0.4082  0.2500  1.0
  Mn  Mn2  4  0.0000  0.0435  0.2500  1.0
  S  S3  8  0.1953  0.0321  0.0035  1.0
  S  S4  4  0.0000  0.1955  0.2500  1.0
]