data_[Tb16Pd2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6145]
_cell_length_b [8.6145]
_cell_length_c [8.5373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tb8PdRu5]
_chemical_formula_sum '[Tb16 Pd2 Ru10]'
_cell_volume [633.5459]
_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  0.0609  0.1792  0.1969  1
  Tb  Tb1  8  0.0731  0.3152  0.5739  1
  Ru  Ru2  8  0.1395  0.2517  0.8902  1
  Ru  Ru3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  2  0.0000  0.5000  0.2500  1
]