data_[Tb4Al2B4Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5991]
_cell_length_b [9.5991]
_cell_length_c [3.1293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Tb2AlB2Ru5]
_chemical_formula_sum '[Tb4 Al2 B4 Ru10]'
_cell_volume [288.3453]
_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  0.1762  0.6762  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.1243  0.3757  0.0000  1.0
  Ru  Ru3  8  0.0687  0.2179  0.5000  1.0
  Ru  Ru4  2  0.0000  0.5000  0.5000  1.0
]