data_[Dy8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1621]
_cell_length_b [4.0290]
_cell_length_c [11.0008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Dy2Se3]
_chemical_formula_sum '[Dy8 Se12]'
_cell_volume [494.7350]
_cell_formula_units_Z [4]
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  0.0128  0.7500  0.6875  1.0
  Dy  Dy1  4  0.1937  0.7500  0.0013  1.0
  Se  Se2  4  0.0445  0.2500  0.8746  1.0
  Se  Se3  4  0.1188  0.7500  0.4441  1.0
  Se  Se4  4  0.2263  0.2500  0.1952  1.0
]