data_[Tb1Dy3Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3644]
_cell_length_b [5.3644]
_cell_length_c [8.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TbDy3Ir8]
_chemical_formula_sum '[Tb1 Dy3 Ir8]'
_cell_volume [217.2699]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.0000  0.0000  0.5673  1
  Dy  Dy1  1  0.0000  0.0000  0.9329  1
  Dy  Dy2  1  0.6667  0.3333  0.0672  1
  Dy  Dy3  1  0.6667  0.3333  0.4326  1
  Ir  Ir4  3  0.1635  0.3269  0.2498  1
  Ir  Ir5  3  0.5032  0.0065  0.7503  1
  Ir  Ir6  1  0.3333  0.6667  0.4999  1
  Ir  Ir7  1  0.3333  0.6667  1.0000  1
]