data_[Tb6Sc8In2]
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 [Pmn2_1]
_cell_length_a [10.7785]
_cell_length_b [6.7684]
_cell_length_c [5.8821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3Sc4In]
_chemical_formula_sum '[Tb6 Sc8 In2]'
_cell_volume [429.1127]
_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  0.2397  0.6243  0.9784  1.0
  Tb  Tb1  2  0.0000  0.6321  0.6232  1.0
  Sc  Sc2  4  0.2420  0.1190  0.9870  1.0
  Sc  Sc3  2  0.0000  0.1218  0.6508  1.0
  Sc  Sc4  2  0.0000  0.8885  0.1635  1.0
  In  In5  2  0.0000  0.3564  0.1468  1.0
]