data_[Tb12Pm8Tl16]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.2351]
_cell_length_b [16.4572]
_cell_length_c [9.2421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb3(PmTl2)2]
_chemical_formula_sum '[Tb12 Pm8 Tl16]'
_cell_volume [1100.4394]
_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  0.2500  0.2145  0.2500  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Pm  Pm2  8  0.0000  0.1095  0.5749  1
  Tl  Tl3  8  0.0000  0.1872  0.9599  1
  Tl  Tl4  8  0.2500  0.0275  0.2500  1
]