data_[Tb16Sc4In2]
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 [C2/m]
_cell_length_a [17.6154]
_cell_length_b [4.8970]
_cell_length_c [7.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Sc2In]
_chemical_formula_sum '[Tb16 Sc4 In2]'
_cell_volume [647.4754]
_cell_formula_units_Z [2]
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  0.0464  0.0000  0.7250  1
  Tb  Tb1  4  0.0938  0.5000  0.4471  1
  Tb  Tb2  4  0.1378  0.0000  0.1853  1
  Tb  Tb3  4  0.1815  0.5000  0.9117  1
  Sc  Sc4  4  0.2245  0.0000  0.6329  1
  In  In5  2  0.0000  0.5000  0.0000  1
]