data_[Pr4Tl5Pd2]
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 [P2/m]
_cell_length_a [8.1423]
_cell_length_b [3.7861]
_cell_length_c [10.0575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Tl5Pd2]
_chemical_formula_sum '[Pr4 Tl5 Pd2]'
_cell_volume [309.3032]
_cell_formula_units_Z [1]
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  2  0.1937  0.5000  0.8485  1.0
  Pr  Pr1  2  0.2218  0.5000  0.4266  1.0
  Tl  Tl2  2  0.1529  0.0000  0.1380  1.0
  Tl  Tl3  2  0.4509  0.0000  0.6658  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd5  2  0.0747  0.0000  0.6327  1.0
]