data_[Tb4Sc12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7824]
_cell_length_b [18.4749]
_cell_length_c [5.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbSc3Sn]
_chemical_formula_sum '[Tb4 Sc12 Sn4]'
_cell_volume [565.9369]
_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  0.0000  0.4334  0.2500  1
  Sc  Sc1  8  0.2397  0.2116  0.7500  1
  Sc  Sc2  4  0.0000  0.0000  0.0000  1
  Sn  Sn3  4  0.0000  0.1451  0.2500  1
]