data_[K8Mn4Se8S4]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3795]
_cell_length_b [8.4849]
_cell_length_c [6.4510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2MnSe2S]
_chemical_formula_sum '[K8 Mn4 Se8 S4]'
_cell_volume [677.4151]
_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  8  0.1465  0.3457  0.2390  1
  Mn  Mn1  4  0.0000  0.0841  0.7500  1
  Se  Se2  8  0.1357  0.0053  0.5015  1
  S  S3  4  0.0000  0.3428  0.7500  1
]