data_[Tb4Pr2Sc6]
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 [P-3m1]
_cell_length_a [6.7072]
_cell_length_b [6.7072]
_cell_length_c [9.2467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb2PrSc3]
_chemical_formula_sum '[Tb4 Pr2 Sc6]'
_cell_volume [360.2485]
_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  0.3333  0.6667  0.5833  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Tb  Tb2  1  0.0000  0.0000  0.5000  1
  Pr  Pr3  2  0.3333  0.6667  0.9479  1
  Sc  Sc4  6  0.1856  0.3711  0.2654  1
]