data_[Pr16Tl2Cd4]
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 [16.9686]
_cell_length_b [5.5735]
_cell_length_c [8.9178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8TlCd2]
_chemical_formula_sum '[Pr16 Tl2 Cd4]'
_cell_volume [723.5622]
_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  0.0702  0.0000  0.7204  1.0
  Pr  Pr1  4  0.0920  0.5000  0.4491  1.0
  Pr  Pr2  4  0.1387  0.0000  0.1900  1.0
  Pr  Pr3  4  0.1815  0.5000  0.9513  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd5  4  0.2273  0.0000  0.6156  1.0
]