data_[Tb6Sm2Hg4]
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 [Pmc2_1]
_cell_length_a [5.1405]
_cell_length_b [9.3182]
_cell_length_c [7.1562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tb3SmHg2]
_chemical_formula_sum '[Tb6 Sm2 Hg4]'
_cell_volume [342.7843]
_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  0.0566  0.4850  1
  Tb  Tb1  2  0.0000  0.3236  0.8314  1
  Tb  Tb2  2  0.5000  0.1729  0.1691  1
  Sm  Sm3  2  0.5000  0.4433  0.5147  1
  Hg  Hg4  2  0.0000  0.3503  0.2598  1
  Hg  Hg5  2  0.5000  0.1478  0.7399  1
]