data_[Tb2Sc6Hg4]
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 [Pmc2_1]
_cell_length_a [4.8762]
_cell_length_b [8.7357]
_cell_length_c [6.7870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TbSc3Hg2]
_chemical_formula_sum '[Tb2 Sc6 Hg4]'
_cell_volume [289.1056]
_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  0.5000  0.4489  0.5139  1
  Sc  Sc1  2  0.0000  0.0505  0.4846  1
  Sc  Sc2  2  0.0000  0.3162  0.8257  1
  Sc  Sc3  2  0.5000  0.1689  0.1749  1
  Hg  Hg4  2  0.0000  0.3459  0.2531  1
  Hg  Hg5  2  0.5000  0.1478  0.7478  1
]