data_[K6Dy2Sc4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7832]
_cell_length_b [11.7496]
_cell_length_c [7.6722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Dy(ScS3)2]
_chemical_formula_sum '[K6 Dy2 Sc4 S12]'
_cell_volume [584.2347]
_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
[
  K  K0  4  0.0000  0.1648  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3331  0.0000  1.0
  S  S4  8  0.2380  0.1728  0.1953  1.0
  S  S5  4  0.2194  0.5000  0.1949  1.0
]