data_[Tb3Pm36Tm21]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [19.5665]
_cell_length_b [19.5665]
_cell_length_c [6.1616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TbPm12Tm7]
_chemical_formula_sum '[Tb3 Pm36 Tm21]'
_cell_volume [2042.8972]
_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  3  0.0000  0.0000  0.0000  1
  Pm  Pm1  18  0.0000  0.4132  0.5000  1
  Pm  Pm2  18  0.0981  0.5491  0.9643  1
  Tm  Tm3  18  0.0812  0.1624  0.7931  1
  Tm  Tm4  3  0.0000  0.0000  0.5000  1
]