data_[Pr12Tl4Hg2]
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 [P2_1/c]
_cell_length_a [6.5553]
_cell_length_b [8.8702]
_cell_length_c [11.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Tl2Hg]
_chemical_formula_sum '[Pr12 Tl4 Hg2]'
_cell_volume [606.9193]
_cell_formula_units_Z [2]
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  4  0.0776  0.5504  0.7212  1.0
  Pr  Pr1  4  0.1631  0.2032  0.5612  1.0
  Pr  Pr2  4  0.4170  0.6529  0.5513  1.0
  Tl  Tl3  4  0.3315  0.6186  0.2383  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
]