data_[Tb8Sm2Hg8]
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 [P4_2/n]
_cell_length_a [9.5675]
_cell_length_b [9.5675]
_cell_length_c [5.5577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Tb4SmHg4]
_chemical_formula_sum '[Tb8 Sm2 Hg8]'
_cell_volume [508.7419]
_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  8  0.0886  0.6515  0.0948  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.1044  0.7940  0.5960  1
]