data_[Pr16Tm16Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.4391]
_cell_length_b [10.3679]
_cell_length_c [16.4321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr2Tm2Hg]
_chemical_formula_sum '[Pr16 Tm16 Hg8]'
_cell_volume [1267.3760]
_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  0.0000  0.0000  0.2941  1
  Pr  Pr1  8  0.2099  0.0000  0.5000  1
  Tm  Tm2  16  0.0000  0.2053  0.1030  1
  Hg  Hg3  8  0.2500  0.2500  0.2500  1
]