data_[Nd12Ag4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6189]
_cell_length_b [15.7234]
_cell_length_c [5.8993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3AgRu]
_chemical_formula_sum '[Nd12 Ag4 Ru4]'
_cell_volume [543.6044]
_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
[
  Nd  Nd0  8  0.1916  0.6104  0.8637  1.0
  Nd  Nd1  4  0.0000  0.1902  0.5000  1.0
  Ag  Ag2  4  0.2306  0.0000  0.5817  1.0
  Ru  Ru3  4  0.0000  0.2488  0.0000  1.0
]