data_[Th4Ag2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5267]
_cell_length_b [4.7043]
_cell_length_c [7.3959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th2AgHg]
_chemical_formula_sum '[Th4 Ag2 Hg2]'
_cell_volume [217.7081]
_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
[
  Th  Th0  2  0.1739  0.2500  0.9149  1
  Th  Th1  2  0.1767  0.2500  0.4228  1
  Ag  Ag2  2  0.3598  0.7500  0.7161  1
  Hg  Hg3  2  0.3662  0.7500  0.2152  1
]