data_[Pr3Tl4Cd4]
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 [P-1]
_cell_length_a [3.8598]
_cell_length_b [5.0704]
_cell_length_c [15.8384]
_cell_angle_alpha [82.0718]
_cell_angle_beta [83.2605]
_cell_angle_gamma [89.7851]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr3(TlCd)4]
_chemical_formula_sum '[Pr3 Tl4 Cd4]'
_cell_volume [304.8577]
_cell_formula_units_Z [1]
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  2  0.1453  0.6175  0.7145  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.2913  0.8421  0.3688  1.0
  Tl  Tl3  2  0.3643  0.4599  0.0964  1.0
  Cd  Cd4  2  0.2740  0.2797  0.4770  1.0
  Cd  Cd5  2  0.4680  0.9222  0.1834  1.0
]