data_[Tb16Ir10Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6557]
_cell_length_b [8.6557]
_cell_length_c [8.6392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tb8Ir5Pd]
_chemical_formula_sum '[Tb16 Ir10 Pd2]'
_cell_volume [647.2571]
_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  8  0.0647  0.3118  0.4327  1.0
  Tb  Tb1  8  0.0654  0.1812  0.8101  1.0
  Ir  Ir2  8  0.1280  0.2484  0.1215  1.0
  Ir  Ir3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.7500  1.0
]