data_[Dy4Ti2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2787]
_cell_length_b [3.9814]
_cell_length_c [7.1744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy2TiSe4]
_chemical_formula_sum '[Dy4 Ti2 Se8]'
_cell_volume [356.6231]
_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  0.2316  0.5000  0.7195  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1119  0.0000  0.4217  1
  Se  Se3  4  0.1250  0.5000  0.9783  1
]