data_[Tb12Tl4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1598]
_cell_length_b [5.5238]
_cell_length_c [8.9317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3TlRu]
_chemical_formula_sum '[Tb12 Tl4 Ru4]'
_cell_volume [552.1178]
_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  0.1029  0.0000  0.2219  1.0
  Tb  Tb1  4  0.1071  0.5000  0.8939  1.0
  Tb  Tb2  4  0.1671  0.0000  0.6671  1.0
  Tl  Tl3  4  0.1181  0.5000  0.4674  1.0
  Ru  Ru4  4  0.1481  0.0000  0.9512  1.0
]