data_[Pr12Tl6Pd2]
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 [Pnnm]
_cell_length_a [9.5783]
_cell_length_b [12.0805]
_cell_length_c [5.4378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Pr6Tl3Pd]
_chemical_formula_sum '[Pr12 Tl6 Pd2]'
_cell_volume [629.2019]
_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  0.0059  0.7622  0.0000  1.0
  Pr  Pr1  4  0.1593  0.9162  0.5000  1.0
  Pr  Pr2  4  0.1777  0.5813  0.5000  1.0
  Tl  Tl3  4  0.1630  0.2584  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]