data_[Pr12Tl3Ag6Hg3]
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
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4358]
_cell_length_b [5.4358]
_cell_length_c [26.6280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr4TlAg2Hg]
_chemical_formula_sum '[Pr12 Tl3 Ag6 Hg3]'
_cell_volume [681.3913]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1269  1.0
  Pr  Pr1  6  0.0000  0.0000  0.3769  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  6  0.0000  0.0000  0.2521  1.0
  Hg  Hg4  3  -0.0000  -0.0000  0.5000  1.0
]