data_[Tb2Sc8Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1525]
_cell_length_b [5.8847]
_cell_length_c [7.6021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(Sc2Ni)2]
_chemical_formula_sum '[Tb2 Sc8 Ni4]'
_cell_volume [295.8815]
_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  2  0.3525  0.7500  0.9805  1
  Sc  Sc1  4  0.0935  0.5031  0.2348  1
  Sc  Sc2  2  0.2405  0.2500  0.6448  1
  Sc  Sc3  2  0.4741  0.7500  0.6044  1
  Ni  Ni4  2  0.1174  0.7500  0.5759  1
  Ni  Ni5  2  0.2333  0.2500  0.0063  1
]