data_[Tb4Pr12Y6]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8474]
_cell_length_b [4.8474]
_cell_length_c [33.9132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tb2(Pr2Y)3]
_chemical_formula_sum '[Tb4 Pr12 Y6]'
_cell_volume [796.8666]
_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  0.0000  0.0000  0.4552  1
  Pr  Pr1  8  0.0000  0.5000  0.1191  1
  Pr  Pr2  4  0.0000  0.0000  0.3039  1
  Y  Y3  4  0.0000  0.0000  0.2011  1
  Y  Y4  2  0.0000  0.0000  0.0000  1
]