data_[Tb2In6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8644]
_cell_length_b [5.1761]
_cell_length_c [11.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(InHg2)3]
_chemical_formula_sum '[Tb2 In6 Hg12]'
_cell_volume [514.2554]
_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  0.0629  0.7500  0.3817  1.0
  In  In1  2  0.2635  0.7500  0.9887  1.0
  In  In2  2  0.3393  0.2500  0.8167  1.0
  In  In3  2  0.4662  0.7500  0.5773  1.0
  Hg  Hg4  2  0.0405  0.2500  0.9178  1.0
  Hg  Hg5  2  0.1319  0.2500  0.2266  1.0
  Hg  Hg6  2  0.1637  0.7500  0.6761  1.0
  Hg  Hg7  2  0.2392  0.2500  0.5232  1.0
  Hg  Hg8  2  0.3576  0.7500  0.2813  1.0
  Hg  Hg9  2  0.4396  0.2500  0.1214  1.0
]