data_[Th16Zn8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.9602]
_cell_length_b [9.8919]
_cell_length_c [17.1437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Th2ZnHg3]
_chemical_formula_sum '[Th16 Zn8 Hg24]'
_cell_volume [1180.3297]
_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
[
  Th  Th0  8  0.2474  0.0000  0.0000  1
  Th  Th1  8  0.2500  0.2500  0.2500  1
  Zn  Zn2  8  0.0000  0.0000  0.3333  1
  Hg  Hg3  16  0.0000  0.2424  0.4144  1
  Hg  Hg4  8  0.0000  0.0000  0.1711  1
]