data_[Tb1Sc12In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5461]
_cell_length_b [4.5461]
_cell_length_c [18.5029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb(Sc4In)3]
_chemical_formula_sum '[Tb1 Sc12 In3]'
_cell_volume [382.3948]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.5000  0.1328  1
  Sc  Sc2  4  0.0000  0.5000  0.3779  1
  Sc  Sc3  2  0.5000  0.5000  0.2574  1
  Sc  Sc4  1  0.5000  0.5000  0.0000  1
  Sc  Sc5  1  0.5000  0.5000  0.5000  1
  In  In6  2  0.0000  0.0000  0.2562  1
  In  In7  1  0.0000  0.0000  0.5000  1
]