data_[Pr16Al4Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8584]
_cell_length_b [5.0611]
_cell_length_c [8.1124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Al2Tl]
_chemical_formula_sum '[Pr16 Al4 Tl2]'
_cell_volume [690.1698]
_cell_formula_units_Z [2]
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  4  0.0439  0.0000  0.7408  1
  Pr  Pr1  4  0.1018  0.5000  0.4551  1
  Pr  Pr2  4  0.1720  0.0000  0.2543  1
  Pr  Pr3  4  0.1742  0.5000  0.9336  1
  Al  Al4  4  0.2105  0.0000  0.6725  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
]