data_[Tb16Tm16Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [9.5056]
_cell_length_b [9.5197]
_cell_length_c [13.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [TbTmRu]
_chemical_formula_sum '[Tb16 Tm16 Ru16]'
_cell_volume [1218.2254]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.3739  1.0
  Tm  Tm1  16  0.0000  0.0000  0.1239  1.0
  Ru  Ru2  16  0.0000  0.2480  0.0000  1.0
]