data_[Tb6U2Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8801]
_cell_length_b [9.6330]
_cell_length_c [6.0658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tb3URu4]
_chemical_formula_sum '[Tb6 U2 Ru8]'
_cell_volume [343.5861]
_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  0.0000  0.2661  0.2991  1
  Tb  Tb1  2  0.0000  0.0000  0.6505  1
  U  U2  2  0.0000  0.5000  0.8768  1
  Ru  Ru3  4  0.0000  0.2611  0.8106  1
  Ru  Ru4  4  0.2404  0.0000  0.0511  1
]