data_[Tb12Pm8Sm20]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.4385]
_cell_length_b [21.9232]
_cell_length_c [6.8899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tb3Pm2Sm5]
_chemical_formula_sum '[Tb12 Pm8 Sm20]'
_cell_volume [1425.6678]
_cell_formula_units_Z [4]
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  8  0.2487  0.1222  0.0000  1
  Tb  Tb1  4  0.0000  0.0000  0.2500  1
  Pm  Pm2  8  0.0985  0.1228  0.5000  1
  Sm  Sm3  8  0.0000  0.2486  0.2500  1
  Sm  Sm4  8  0.0941  0.6263  0.5000  1
  Sm  Sm5  4  0.0000  0.5000  0.2500  1
]