data_[Pr9Tl3Pd24]
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 [R3m]
_cell_length_a [5.5286]
_cell_length_b [5.5286]
_cell_length_c [27.1519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3TlPd8]
_chemical_formula_sum '[Pr9 Tl3 Pd24]'
_cell_volume [718.7237]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3776  1.0
  Pr  Pr1  3  0.0000  0.0000  0.5069  1.0
  Pr  Pr2  3  0.0000  0.0000  0.9920  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8689  1.0
  Pd  Pd4  9  0.0030  0.5015  0.9390  1.0
  Pd  Pd5  9  0.1677  0.3354  0.7705  1.0
  Pd  Pd6  3  0.0000  0.0000  0.1879  1.0
  Pd  Pd7  3  0.0000  0.0000  0.6883  1.0
]