data_[Pr8Tl8Cd4]
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 [C2/m]
_cell_length_a [11.7664]
_cell_length_b [4.9498]
_cell_length_c [11.3547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Tl2Cd]
_chemical_formula_sum '[Pr8 Tl8 Cd4]'
_cell_volume [594.7824]
_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  4  0.0241  0.0000  0.3367  1.0
  Pr  Pr1  4  0.1757  0.0000  0.0905  1.0
  Tl  Tl2  4  0.0349  0.5000  0.8807  1.0
  Tl  Tl3  4  0.1436  0.5000  0.5660  1.0
  Cd  Cd4  4  0.2238  0.5000  0.3279  1.0
]