data_[Tb4Sn12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.3432]
_cell_length_b [6.1242]
_cell_length_c [6.4412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [TbSn3Hg]
_chemical_formula_sum '[Tb4 Sn12 Hg4]'
_cell_volume [526.3588]
_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  4  0.3095  0.0105  0.7500  1.0
  Sn  Sn1  4  0.0806  0.6936  0.2500  1.0
  Sn  Sn2  4  0.2846  0.5178  0.7500  1.0
  Sn  Sn3  4  0.4991  0.7500  0.0000  1.0
  Hg  Hg4  4  0.1199  0.2500  0.0000  1.0
]