data_[Tb4Tm12Ru4]
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 [C2/m]
_cell_length_a [11.6089]
_cell_length_b [8.4305]
_cell_length_c [7.9710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.0679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTm3Ru]
_chemical_formula_sum '[Tb4 Tm12 Ru4]'
_cell_volume [569.9010]
_cell_formula_units_Z [4]
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  0.0532  0.0000  0.3442  1.0
  Tm  Tm1  8  0.2474  0.3026  0.7934  1.0
  Tm  Tm2  4  0.0548  0.5000  0.2580  1.0
  Ru  Ru3  4  0.2481  0.5000  0.1169  1.0
]