data_[Tb1Tm5Ru4]
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 [P4/mmm]
_cell_length_a [3.3701]
_cell_length_b [3.3701]
_cell_length_c [18.8704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbTm5Ru4]
_chemical_formula_sum '[Tb1 Tm5 Ru4]'
_cell_volume [214.3281]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Tm  Tm1  2  0.5000  0.5000  0.1477  1
  Tm  Tm2  2  0.5000  0.5000  0.3236  1
  Tm  Tm3  1  0.5000  0.5000  0.5000  1
  Ru  Ru4  2  0.0000  0.0000  0.2289  1
  Ru  Ru5  2  0.0000  0.0000  0.4110  1
]