data_[Tb45Pm6Sm6]
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 [R-3m]
_cell_length_a [11.4897]
_cell_length_b [11.4897]
_cell_length_c [17.0430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb15(PmSm)2]
_chemical_formula_sum '[Tb45 Pm6 Sm6]'
_cell_volume [1948.4574]
_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  0.0000  0.3404  0.0000  1
  Tb  Tb1  18  0.0172  0.5086  0.1742  1
  Tb  Tb2  9  0.0000  0.5000  0.5000  1
  Pm  Pm3  6  0.0000  0.0000  0.3468  1
  Sm  Sm4  6  0.0000  0.0000  0.1096  1
]