data_[Nd10Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.8700]
_cell_length_b [4.4231]
_cell_length_c [9.9800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Ru4]
_chemical_formula_sum '[Nd10 Ru8]'
_cell_volume [450.0253]
_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
[
  Nd  Nd0  4  0.1118  0.0000  0.3940  1.0
  Nd  Nd1  4  0.2418  0.0000  0.8264  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.0463  0.5000  0.8431  1.0
  Ru  Ru4  4  0.0918  0.5000  0.6139  1.0
]