data_[Tb8Nd6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.4203]
_cell_length_b [7.2782]
_cell_length_c [6.2675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Nd3Sc]
_chemical_formula_sum '[Tb8 Nd6 Sc2]'
_cell_volume [520.9489]
_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  0.2443  0.1252  0.9850  1
  Tb  Tb1  2  0.0000  0.1244  0.6456  1
  Tb  Tb2  2  0.0000  0.8749  0.1509  1
  Nd  Nd3  4  0.2498  0.6230  0.9785  1
  Nd  Nd4  2  0.0000  0.6260  0.6472  1
  Sc  Sc5  2  0.0000  0.3712  0.1445  1
]