data_[K3Dy12Sc3S24]
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 [R3m]
_cell_length_a [8.2231]
_cell_length_b [8.2231]
_cell_length_c [19.4760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KDy4ScS8]
_chemical_formula_sum '[K3 Dy12 Sc3 S24]'
_cell_volume [1140.5113]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3834  1
  Dy  Dy1  9  0.1728  0.3456  0.8325  1
  Dy  Dy2  3  0.0000  0.0000  0.6232  1
  Sc  Sc3  3  0.0000  0.0000  0.0066  1
  S  S4  9  0.0537  0.5269  0.7501  1
  S  S5  9  0.1785  0.3570  0.5816  1
  S  S6  3  0.0000  0.0000  0.2363  1
  S  S7  3  0.0000  0.0000  0.7577  1
]