data_[K4Mn4Si8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6510]
_cell_length_b [13.4667]
_cell_length_c [6.4758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMn(SiS3)2]
_chemical_formula_sum '[K4 Mn4 Si8 S24]'
_cell_volume [1038.1636]
_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
[
  K  K0  4  0.0000  0.1265  0.2500  1
  Mn  Mn1  4  0.0000  0.2114  0.7500  1
  Si  Si2  8  0.2011  0.4274  0.1428  1
  S  S3  8  0.1198  0.0811  0.7450  1
  S  S4  8  0.1215  0.2879  0.0435  1
  S  S5  8  0.1435  0.4473  0.4253  1
]