data_[Tb12Ir4Ru2]
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 [P2_1/c]
_cell_length_a [6.6449]
_cell_length_b [7.3144]
_cell_length_c [11.4530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6Ir2Ru]
_chemical_formula_sum '[Tb12 Ir4 Ru2]'
_cell_volume [466.5552]
_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  0.0818  0.5404  0.7433  1.0
  Tb  Tb1  4  0.2324  0.1660  0.5760  1.0
  Tb  Tb2  4  0.3917  0.6738  0.5682  1.0
  Ir  Ir3  4  0.3181  0.6289  0.2784  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]