data_[Pr12Tl8Cd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.8183]
_cell_length_b [13.5317]
_cell_length_c [6.5079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr3Tl2Cd5]
_chemical_formula_sum '[Pr12 Tl8 Cd20]'
_cell_volume [1128.8230]
_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  0.1236  0.2714  0.0000  1
  Pr  Pr1  4  0.0000  0.0000  0.2500  1
  Tl  Tl2  8  0.1250  0.1629  0.5000  1
  Cd  Cd3  8  0.1261  0.3684  0.5000  1
  Cd  Cd4  8  0.2482  0.5000  0.2500  1
  Cd  Cd5  4  0.0000  0.5000  0.2500  1
]