data_[Nd12Ag2Ru4]
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 [10.3774]
_cell_length_b [5.2336]
_cell_length_c [9.1915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6AgRu2]
_chemical_formula_sum '[Nd12 Ag2 Ru4]'
_cell_volume [491.5996]
_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  0.0382  0.0000  0.8394  1.0
  Nd  Nd1  4  0.1579  0.5000  0.3925  1.0
  Nd  Nd2  4  0.2115  0.5000  0.8370  1.0
  Ag  Ag3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.1108  0.5000  0.1019  1.0
]