data_[Tb6Nd8Sc2]
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 [11.5717]
_cell_length_b [7.2501]
_cell_length_c [6.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3Nd4Sc]
_chemical_formula_sum '[Tb6 Nd8 Sc2]'
_cell_volume [525.8702]
_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  0.2493  0.6182  0.9774  1.0
  Tb  Tb1  2  0.0000  0.6217  0.6503  1.0
  Nd  Nd2  4  0.2418  0.1309  0.9865  1.0
  Nd  Nd3  2  0.0000  0.1291  0.6353  1.0
  Nd  Nd4  2  0.0000  0.8688  0.1562  1.0
  Sc  Sc5  2  0.0000  0.3838  0.1455  1.0
]