data_[Tb12Ir2Ru4]
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 [6.6152]
_cell_length_b [7.3957]
_cell_length_c [11.5172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6IrRu2]
_chemical_formula_sum '[Tb12 Ir2 Ru4]'
_cell_volume [470.1368]
_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  0.0777  0.5477  0.7411  1.0
  Tb  Tb1  4  0.2271  0.1703  0.5739  1.0
  Tb  Tb2  4  0.3970  0.6717  0.5705  1.0
  Ru  Ru3  4  0.3076  0.6239  0.2739  1.0
  Ir  Ir4  2  0.5000  0.0000  0.5000  1.0
]