data_[Pr8Tm8Tl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.3068]
_cell_length_b [7.2762]
_cell_length_c [9.8229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pr2Tm2Tl5]
_chemical_formula_sum '[Pr8 Tm8 Tl20]'
_cell_volume [1094.0363]
_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
[
  Pr  Pr0  8  0.1279  0.5350  0.0627  1
  Tm  Tm1  4  0.0000  0.0000  0.9969  1
  Tm  Tm2  4  0.2500  0.0194  0.1266  1
  Tl  Tl3  8  0.0402  0.6951  0.7760  1
  Tl  Tl4  8  0.1528  0.2056  0.8447  1
  Tl  Tl5  4  0.2500  0.7023  0.3457  1
]