data_[Tb16Ni4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1052]
_cell_length_b [5.0428]
_cell_length_c [6.6601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Ni2Ru]
_chemical_formula_sum '[Tb16 Ni4 Ru2]'
_cell_volume [553.1408]
_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  4  0.0361  0.0000  0.7926  1.0
  Tb  Tb1  4  0.0907  0.5000  0.4441  1.0
  Tb  Tb2  4  0.1702  0.5000  0.9761  1.0
  Tb  Tb3  4  0.2001  0.0000  0.3254  1.0
  Ni  Ni4  4  0.1893  0.0000  0.7188  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]