data_[Tb12Mg2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0749]
_cell_length_b [5.0749]
_cell_length_c [18.2066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tb6MgHg]
_chemical_formula_sum '[Tb12 Mg2 Hg2]'
_cell_volume [468.9089]
_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  8  0.0000  0.5000  0.1142  1
  Tb  Tb1  4  0.0000  0.0000  0.2485  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
]