data_[Dy21Y36Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9693]
_cell_length_b [11.9693]
_cell_length_c [15.7558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy7Y12Tl]
_chemical_formula_sum '[Dy21 Y36 Tl3]'
_cell_volume [1954.8399]
_cell_formula_units_Z [3]
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
[
  Y  Y0  18  0.0366  0.4584  0.7154  1
  Y  Y1  18  0.0563  0.5837  0.0847  1
  Dy  Dy2  18  0.0580  0.1882  0.7953  1
  Dy  Dy3  3  -0.0000  0.0000  0.5000  1
  Tl  Tl4  3  0.0000  0.0000  0.0000  1
]