data_[Tb2Pr1Sc4]
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-1]
_cell_length_a [5.8540]
_cell_length_b [5.9118]
_cell_length_c [5.9272]
_cell_angle_alpha [99.9053]
_cell_angle_beta [99.9733]
_cell_angle_gamma [99.2094]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb2PrSc4]
_chemical_formula_sum '[Tb2 Pr1 Sc4]'
_cell_volume [195.1692]
_cell_formula_units_Z [1]
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  0.1510  0.2916  0.5738  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  2  0.2899  0.5757  0.1413  1.0
  Sc  Sc3  2  0.4316  0.8579  0.7139  1.0
]