data_[Tb4Nd12Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5023]
_cell_length_b [4.3236]
_cell_length_c [10.9711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbNd3Ru2]
_chemical_formula_sum '[Tb4 Nd12 Ru8]'
_cell_volume [701.3363]
_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  0.0724  0.5000  0.6645  1.0
  Nd  Nd1  4  0.0526  0.0000  0.2224  1.0
  Nd  Nd2  4  0.1663  0.5000  0.0251  1.0
  Nd  Nd3  4  0.2128  0.0000  0.5968  1.0
  Ru  Ru4  4  0.1164  0.5000  0.4186  1.0
  Ru  Ru5  4  0.1382  0.0000  0.8386  1.0
]