data_[Tb16Pr12Y8]
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 [16.7640]
_cell_length_b [11.8606]
_cell_length_c [6.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb4Pr3Y2]
_chemical_formula_sum '[Tb16 Pr12 Y8]'
_cell_volume [1203.2911]
_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  0.0509  0.1302  0.5224  1.0
  Tb  Tb1  8  0.2182  0.3656  0.3524  1.0
  Pr  Pr2  8  0.1667  0.1080  0.0833  1.0
  Pr  Pr3  4  0.0000  0.3863  0.2500  1.0
  Y  Y4  8  0.1164  0.3728  0.8085  1.0
]