data_[Tb6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2817]
_cell_length_b [3.9694]
_cell_length_c [7.9397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3Ru]
_chemical_formula_sum '[Tb6 Ru2]'
_cell_volume [220.9775]
_cell_formula_units_Z [2]
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  0.0890  0.7500  0.8655  1.0
  Tb  Tb1  2  0.2029  0.7500  0.4614  1.0
  Tb  Tb2  2  0.4319  0.2500  0.1601  1.0
  Ru  Ru3  2  0.2717  0.2500  0.7387  1.0
]