data_[Tb6Pm9Nd21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6659]
_cell_length_b [6.6659]
_cell_length_c [33.9996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Pm3Nd7]
_chemical_formula_sum '[Tb6 Pm9 Nd21]'
_cell_volume [1308.3389]
_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  0.3343  1
  Pm  Pm1  6  0.0000  0.0000  0.1516  1
  Pm  Pm2  3  0.0000  0.0000  0.0000  1
  Nd  Nd3  18  0.0061  0.5031  0.9158  1
  Nd  Nd4  3  -0.0000  -0.0000  0.5000  1
]