data_[Pr8Tl8Hg4]
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 [C2/m]
_cell_length_a [11.7947]
_cell_length_b [4.9246]
_cell_length_c [11.4651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Tl2Hg]
_chemical_formula_sum '[Pr8 Tl8 Hg4]'
_cell_volume [598.5983]
_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  4  0.0202  0.0000  0.3306  1.0
  Pr  Pr1  4  0.1785  0.0000  0.0968  1.0
  Tl  Tl2  4  0.0379  0.5000  0.8856  1.0
  Tl  Tl3  4  0.1454  0.5000  0.5494  1.0
  Hg  Hg4  4  0.2300  0.5000  0.3116  1.0
]