data_[Pr16Tl24Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.4370]
_cell_length_b [10.4188]
_cell_length_c [17.7905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr2Tl3Hg]
_chemical_formula_sum '[Pr16 Tl24 Hg8]'
_cell_volume [1378.4861]
_cell_formula_units_Z [8]
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  0.2477  0.0000  0.5000  1.0
  Pr  Pr1  8  0.2500  0.2500  0.2500  1.0
  Tl  Tl2  16  0.0000  0.2478  0.4152  1.0
  Tl  Tl3  8  0.0000  0.0000  0.1684  1.0
  Hg  Hg4  8  0.0000  0.0000  0.3338  1.0
]