data_[Tb2Ag2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0299]
_cell_length_b [7.1402]
_cell_length_c [10.8785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbAgHg6]
_chemical_formula_sum '[Tb2 Ag2 Hg12]'
_cell_volume [390.7013]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.8824  1.0
  Ag  Ag1  2  0.5000  0.0000  0.6577  1.0
  Hg  Hg2  4  0.0000  0.2423  0.6338  1.0
  Hg  Hg3  4  0.5000  0.2228  0.3585  1.0
  Hg  Hg4  2  0.0000  0.0000  0.3933  1.0
  Hg  Hg5  2  0.5000  0.0000  0.0823  1.0
]