data_[K6Dy4Sc2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1921]
_cell_length_b [12.4588]
_cell_length_c [8.0358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Dy2ScSe6]
_chemical_formula_sum '[K6 Dy4 Sc2 Se12]'
_cell_volume [687.2129]
_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  0.1686  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.3335  0.0000  1.0
  Sc  Sc3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2281  0.8390  0.2015  1.0
  Se  Se5  4  0.2456  0.5000  0.2020  1.0
]