data_[K2Dy2Ti2S8]
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
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6287]
_cell_length_b [6.7669]
_cell_length_c [8.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KDyTiS4]
_chemical_formula_sum '[K2 Dy2 Ti2 S8]'
_cell_volume [376.0225]
_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  2  0.2648  0.2500  0.0604  1.0
  Dy  Dy1  2  0.2097  0.2500  0.5471  1.0
  Ti  Ti2  2  0.2417  0.7500  0.3311  1.0
  S  S3  4  0.0016  0.0026  0.2954  1.0
  S  S4  2  0.4503  0.7500  0.1732  1.0
  S  S5  2  0.4520  0.7500  0.5806  1.0
]