data_[Tb8Nd6Ru8]
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 [Immm]
_cell_length_a [3.7004]
_cell_length_b [9.0475]
_cell_length_c [16.1602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb4Nd3Ru4]
_chemical_formula_sum '[Tb8 Nd6 Ru8]'
_cell_volume [541.0379]
_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  8  0.0000  0.1888  0.3338  1
  Nd  Nd1  4  0.0000  0.0000  0.1007  1
  Nd  Nd2  2  0.0000  0.5000  0.0000  1
  Ru  Ru3  4  0.0000  0.2712  0.5000  1
  Ru  Ru4  4  0.0000  0.5000  0.2518  1
]