data_[Tb6Pr6Dy45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.2342]
_cell_length_b [11.2342]
_cell_length_c [17.5499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Pr2Dy15]
_chemical_formula_sum '[Tb6 Pr6 Dy45]'
_cell_volume [1918.1759]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.0956  1
  Pr  Pr1  6  0.0000  0.0000  0.3280  1
  Dy  Dy2  18  0.0000  0.2977  0.0000  1
  Dy  Dy3  18  0.0118  0.5059  0.1374  1
  Dy  Dy4  9  0.0000  0.5000  0.5000  1
]