data_[Tb6Pr8Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.6755]
_cell_length_b [7.2741]
_cell_length_c [6.2927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3Pr4Sc]
_chemical_formula_sum '[Tb6 Pr8 Sc2]'
_cell_volume [534.4270]
_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  0.2495  0.6162  0.9763  1.0
  Tb  Tb1  2  0.0000  0.6206  0.6531  1.0
  Pr  Pr2  4  0.2408  0.1322  0.9877  1.0
  Pr  Pr3  2  0.0000  0.1311  0.6323  1.0
  Pr  Pr4  2  0.0000  0.8662  0.1573  1.0
  Sc  Sc5  2  0.0000  0.3868  0.1446  1.0
]