data_[Tb2Sc4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2993]
_cell_length_b [17.2328]
_cell_length_c [5.2982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(ScHg3)2]
_chemical_formula_sum '[Tb2 Sc4 Hg12]'
_cell_volume [422.1721]
_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  0.5000  0.0000  1
  Sc  Sc1  4  0.0000  0.3296  0.5000  1
  Hg  Hg2  8  0.1649  0.1684  0.8311  1
  Hg  Hg3  4  0.1684  0.0000  0.3355  1
]