data_[Tb8Pr12Y16]
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 [C2/c]
_cell_length_a [16.7980]
_cell_length_b [11.8453]
_cell_length_c [6.1189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb2Pr3Y4]
_chemical_formula_sum '[Tb8 Pr12 Y16]'
_cell_volume [1206.0717]
_cell_formula_units_Z [4]
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  8  0.1149  0.3678  0.8135  1.0
  Pr  Pr1  8  0.1671  0.1112  0.0825  1.0
  Pr  Pr2  4  0.0000  0.3924  0.2500  1.0
  Y  Y3  8  0.0513  0.1307  0.5218  1.0
  Y  Y4  8  0.2169  0.3717  0.3577  1.0
]