data_[Tb6Pr26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.5215]
_cell_length_b [10.3643]
_cell_length_c [10.3807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tb3Pr13]
_chemical_formula_sum '[Tb6 Pr26]'
_cell_volume [1132.0010]
_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  0.2481  0.0000  0.9985  1.0
  Tb  Tb1  2  0.0000  0.0000  0.7524  1.0
  Pr  Pr2  8  0.2482  0.2486  0.7500  1.0
  Pr  Pr3  4  0.0000  0.2473  0.9999  1.0
  Pr  Pr4  4  0.2487  0.0000  0.5016  1.0
  Pr  Pr5  4  0.5000  0.2473  1.0000  1.0
  Pr  Pr6  2  0.0000  0.0000  0.2473  1.0
  Pr  Pr7  2  0.5000  0.0000  0.2473  1.0
  Pr  Pr8  2  0.5000  0.0000  0.7530  1.0
]