data_[Tb2Pr6Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5251]
_cell_length_b [5.2375]
_cell_length_c [11.3471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(PrHg2)3]
_chemical_formula_sum '[Tb2 Pr6 Hg12]'
_cell_volume [543.1408]
_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  0.0590  0.2500  0.3952  1
  Pr  Pr1  2  0.2247  0.2500  0.0095  1
  Pr  Pr2  2  0.3534  0.7500  0.7875  1
  Pr  Pr3  2  0.4902  0.2500  0.6149  1
  Hg  Hg4  2  0.0603  0.7500  0.8863  1
  Hg  Hg5  2  0.1409  0.7500  0.1895  1
  Hg  Hg6  2  0.1482  0.2500  0.6879  1
  Hg  Hg7  2  0.2310  0.7500  0.4971  1
  Hg  Hg8  2  0.3322  0.2500  0.3009  1
  Hg  Hg9  2  0.4636  0.7500  0.0846  1
]