data_[Tb24Nd12Sc4]
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 [Cmc2_1]
_cell_length_a [10.9319]
_cell_length_b [18.9441]
_cell_length_c [6.3082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb6Nd3Sc]
_chemical_formula_sum '[Tb24 Nd12 Sc4]'
_cell_volume [1306.3928]
_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  0.1665  0.4551  0.0512  1
  Tb  Tb1  8  0.2443  0.7097  0.3688  1
  Tb  Tb2  4  0.0000  0.0441  0.3961  1
  Tb  Tb3  4  0.0000  0.2761  0.1388  1
  Nd  Nd4  8  0.1691  0.1140  0.9572  1
  Nd  Nd5  4  0.0000  0.3861  0.5715  1
  Sc  Sc6  4  0.0000  0.2003  0.6248  1
]