data_[Tb2Pr12Sc4]
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 [C2/m]
_cell_length_a [20.0414]
_cell_length_b [3.4543]
_cell_length_c [10.0176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb(Pr3Sc)2]
_chemical_formula_sum '[Tb2 Pr12 Sc4]'
_cell_volume [602.6118]
_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  0.0000  0.0000  0.5000  1
  Pr  Pr1  4  0.0031  0.0000  0.1720  1
  Pr  Pr2  4  0.1644  0.5000  0.4823  1
  Pr  Pr3  4  0.1815  0.0000  0.8313  1
  Sc  Sc4  4  0.1656  0.0000  0.1661  1
]