data_[Tb4Sn12]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4660]
_cell_length_b [4.4368]
_cell_length_c [22.2048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbSn3]
_chemical_formula_sum '[Tb4 Sn12]'
_cell_volume [439.9833]
_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  2  0.0000  0.0000  0.2137  1.0
  Tb  Tb1  2  0.5000  0.0000  0.4827  1.0
  Sn  Sn2  2  0.0000  0.0000  0.3639  1.0
  Sn  Sn3  2  0.0000  0.0000  0.5995  1.0
  Sn  Sn4  2  0.0000  0.0000  0.9750  1.0
  Sn  Sn5  2  0.5000  0.0000  0.1001  1.0
  Sn  Sn6  2  0.5000  0.0000  0.7279  1.0
  Sn  Sn7  2  0.5000  0.0000  0.8633  1.0
]