data_[Tb12Sm4Hg4]
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 [11.2899]
_cell_length_b [7.4276]
_cell_length_c [7.9594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3SmHg]
_chemical_formula_sum '[Tb12 Sm4 Hg4]'
_cell_volume [624.2140]
_cell_formula_units_Z [4]
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  0.1604  0.2505  0.1422  1
  Tb  Tb1  4  0.0612  0.5000  0.7424  1
  Sm  Sm2  4  0.0596  0.0000  0.7387  1
  Hg  Hg3  4  0.2443  0.5000  0.5002  1
]