data_[Tb16Ir2Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4809]
_cell_length_b [4.9056]
_cell_length_c [6.8549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8IrRu2]
_chemical_formula_sum '[Tb16 Ir2 Ru4]'
_cell_volume [562.5996]
_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  0.0317  0.0000  0.7902  1.0
  Tb  Tb1  4  0.0947  0.5000  0.4493  1.0
  Tb  Tb2  4  0.1677  0.5000  0.9655  1.0
  Tb  Tb3  4  0.2049  0.0000  0.3170  1.0
  Ru  Ru4  4  0.1864  0.0000  0.7018  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]