data_[Tb6Er6Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5787]
_cell_length_b [4.2609]
_cell_length_c [13.2116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbErRu]
_chemical_formula_sum '[Tb6 Er6 Ru6]'
_cell_volume [426.5281]
_cell_formula_units_Z [6]
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  2  0.0258  0.7500  0.7113  1
  Tb  Tb1  2  0.3579  0.2500  0.0799  1
  Tb  Tb2  2  0.4717  0.2500  0.3808  1
  Er  Er3  2  0.0156  0.7500  0.0935  1
  Er  Er4  2  0.1520  0.7500  0.4584  1
  Er  Er5  2  0.3680  0.2500  0.7950  1
  Ru  Ru6  2  0.2387  0.2500  0.5876  1
  Ru  Ru7  2  0.2394  0.7500  0.9181  1
  Ru  Ru8  2  0.2715  0.7500  0.2534  1
]