data_[Dy18Al6Se36]
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 [R-3]
_cell_length_a [11.6273]
_cell_length_b [11.6273]
_cell_length_c [13.9894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy3AlSe6]
_chemical_formula_sum '[Dy18 Al6 Se36]'
_cell_volume [1637.9035]
_cell_formula_units_Z [6]
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  18  0.0511  0.7794  0.7033  1.0
  Al  Al1  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  3  0.0000  0.0000  0.5000  1.0
  Se  Se3  18  0.0179  0.8210  0.8997  1.0
  Se  Se4  18  0.0319  0.8440  0.3867  1.0
]