data_[Nd4Y6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2370]
_cell_length_b [3.8781]
_cell_length_c [8.9230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y3Ru2]
_chemical_formula_sum '[Nd4 Y6 Ru4]'
_cell_volume [382.5200]
_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  0.1655  0.0000  0.8027  1.0
  Y  Y1  4  0.1222  0.5000  0.4249  1.0
  Y  Y2  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru3  4  0.1785  0.0000  0.2315  1.0
]