data_[Tb6Sm2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2365]
_cell_length_b [5.1859]
_cell_length_c [11.2042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3SmHg6]
_chemical_formula_sum '[Tb6 Sm2 Hg12]'
_cell_volume [513.7500]
_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  0.2286  0.2500  0.0064  1
  Tb  Tb1  2  0.3531  0.7500  0.8008  1
  Tb  Tb2  2  0.4877  0.2500  0.6136  1
  Sm  Sm3  2  0.0648  0.2500  0.3871  1
  Hg  Hg4  2  0.0634  0.7500  0.9021  1
  Hg  Hg5  2  0.1397  0.7500  0.2025  1
  Hg  Hg6  2  0.1677  0.2500  0.6892  1
  Hg  Hg7  2  0.2479  0.7500  0.5150  1
  Hg  Hg8  2  0.3526  0.2500  0.2944  1
  Hg  Hg9  2  0.4642  0.7500  0.0912  1
]