data_[Tb10Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4287]
_cell_length_b [4.3520]
_cell_length_c [9.7024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5Ru4]
_chemical_formula_sum '[Tb10 Ru8]'
_cell_volume [411.7965]
_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  0.1116  0.0000  0.3948  1
  Tb  Tb1  4  0.2444  0.0000  0.8255  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  4  0.0491  0.5000  0.8481  1
  Ru  Ru4  4  0.1016  0.5000  0.6139  1
]