data_[Dy4Ti2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [6.4805]
_cell_length_b [7.0504]
_cell_length_c [9.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Dy2TiS6]
_chemical_formula_sum '[Dy4 Ti2 S12]'
_cell_volume [375.2549]
_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
[
  Dy  Dy0  4  0.2029  0.6276  0.2312  1
  Ti  Ti1  2  0.5000  0.0000  0.5000  1
  S  S2  4  0.1189  0.6634  0.9264  1
  S  S3  4  0.2959  0.1880  0.9644  1
  S  S4  4  0.3709  0.5083  0.7217  1
]