data_[Dy4Al4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8340]
_cell_length_b [9.0380]
_cell_length_c [4.2587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyAlSe3]
_chemical_formula_sum '[Dy4 Al4 Se12]'
_cell_volume [493.9522]
_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  0.2370  0.0000  0.2617  1.0
  Al  Al1  4  0.0000  0.3071  0.5000  1.0
  Se  Se2  8  0.1453  0.1937  0.7553  1.0
  Se  Se3  4  0.1032  0.5000  0.2433  1.0
]