data_[Tb21Ce3Y36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.0588]
_cell_length_b [15.0588]
_cell_length_c [10.0188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tb7CeY12]
_chemical_formula_sum '[Tb21 Ce3 Y36]'
_cell_volume [1967.5465]
_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  18  0.0716  0.8261  0.9306  1
  Tb  Tb1  3  0.0000  0.0000  0.5000  1
  Ce  Ce2  3  0.0000  0.0000  0.0000  1
  Y  Y3  18  0.0350  0.7842  0.5746  1
  Y  Y4  18  0.0439  0.8516  0.2557  1
]