data_[Tb20Sc12In4]
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 [10.5264]
_cell_length_b [10.8022]
_cell_length_c [10.6520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5Sc3In]
_chemical_formula_sum '[Tb20 Sc12 In4]'
_cell_volume [1163.8773]
_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  8  0.1366  0.2536  0.6496  1
  Tb  Tb1  4  0.0000  0.2510  0.0000  1
  Tb  Tb2  4  0.1208  0.5000  0.4237  1
  Tb  Tb3  4  0.1918  0.5000  0.8829  1
  Sc  Sc4  4  0.0854  0.5000  0.1343  1
  Sc  Sc5  4  0.1419  0.0000  0.2993  1
  Sc  Sc6  2  0.0000  0.0000  0.0000  1
  Sc  Sc7  2  0.0000  0.0000  0.5000  1
  In  In8  4  0.1389  0.0000  0.8015  1
]