data_[Pr24Tl4Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7059]
_cell_length_b [10.3824]
_cell_length_c [10.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6TlPd2]
_chemical_formula_sum '[Pr24 Tl4 Pd8]'
_cell_volume [1100.1375]
_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  0.0000  0.1980  0.2355  1.0
  Pr  Pr1  8  0.1966  0.5000  0.1751  1.0
  Pr  Pr2  8  0.2099  0.3167  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd5  4  0.0000  0.3525  0.0000  1.0
  Pd  Pd6  4  0.0000  0.5000  0.3725  1.0
]