data_[La2Th2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3640]
_cell_length_b [4.0939]
_cell_length_c [14.9733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaThHg4]
_chemical_formula_sum '[La2 Th2 Hg8]'
_cell_volume [328.8122]
_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
[
  La  La0  2  0.5000  0.0000  0.6046  1
  Th  Th1  2  0.0000  0.0000  0.3923  1
  Hg  Hg2  2  0.0000  0.0000  0.0629  1
  Hg  Hg3  2  0.0000  0.0000  0.7274  1
  Hg  Hg4  2  0.5000  0.0000  0.2716  1
  Hg  Hg5  2  0.5000  0.0000  0.9311  1
]