data_[Dy36Tl18Fe3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1690]
_cell_length_b [12.1690]
_cell_length_c [13.2267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy12Tl6Fe]
_chemical_formula_sum '[Dy36 Tl18 Fe3]'
_cell_volume [1696.2631]
_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
[
  Dy  Dy0  18  0.0328  0.1848  0.3896  1
  Dy  Dy1  18  0.0400  0.8550  0.8793  1
  Tl  Tl2  18  0.0089  0.3962  0.2594  1
  Fe  Fe3  3  0.0000  0.0000  0.0000  1
]