data_[Pr2Tl3Pd1]
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 [Pmm2]
_cell_length_a [3.7302]
_cell_length_b [5.0233]
_cell_length_c [8.7248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2Tl3Pd]
_chemical_formula_sum '[Pr2 Tl3 Pd1]'
_cell_volume [163.4829]
_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  1  0.0000  0.0000  0.4830  1.0
  Pr  Pr1  1  0.0000  0.5000  0.0275  1.0
  Tl  Tl2  1  0.5000  0.0000  0.1793  1.0
  Tl  Tl3  1  0.5000  0.0000  0.8356  1.0
  Tl  Tl4  1  0.5000  0.5000  0.6482  1.0
  Pd  Pd5  1  0.5000  0.5000  0.3263  1.0
]