data_[Pr24Tl4Hg8]
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 [Immm]
_cell_length_a [10.4461]
_cell_length_b [10.4790]
_cell_length_c [10.7807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6TlHg2]
_chemical_formula_sum '[Pr24 Tl4 Hg8]'
_cell_volume [1180.1017]
_cell_formula_units_Z [4]
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  0.0000  0.2006  0.2504  1.0
  Pr  Pr1  8  0.2200  0.5000  0.1749  1.0
  Pr  Pr2  8  0.2292  0.3208  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.3524  0.0000  1.0
  Hg  Hg6  4  0.0000  0.5000  0.3647  1.0
]