data_[Tb4Ni4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.4546]
_cell_length_b [6.1472]
_cell_length_c [6.0238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [TbNiSb3]
_chemical_formula_sum '[Tb4 Ni4 Sb12]'
_cell_volume [461.1905]
_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  0.3044  0.5008  0.7500  1.0
  Ni  Ni1  4  0.1020  0.7500  0.0000  1.0
  Sb  Sb2  4  0.0515  0.0994  0.2500  1.0
  Sb  Sb3  4  0.2258  0.0040  0.7500  1.0
  Sb  Sb4  4  0.4977  0.7500  0.0000  1.0
]