data_[Tb2Sm12Hg4]
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 [C2/m]
_cell_length_a [12.8348]
_cell_length_b [3.7676]
_cell_length_c [12.1106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Sm3Hg)2]
_chemical_formula_sum '[Tb2 Sm12 Hg4]'
_cell_volume [554.6330]
_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  0.0000  0.0000  1
  Sm  Sm1  4  0.0203  0.0000  0.3380  1
  Sm  Sm2  4  0.1868  0.5000  0.8760  1
  Sm  Sm3  4  0.1898  0.5000  0.5889  1
  Hg  Hg4  4  0.1394  0.5000  0.1984  1
]