data_[Nd8Cu4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0332]
_cell_length_b [5.6173]
_cell_length_c [8.4628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2CuRu2]
_chemical_formula_sum '[Nd8 Cu4 Ru8]'
_cell_volume [417.3896]
_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  0.1515  0.3634  0.1534  1.0
  Cu  Cu1  4  0.0000  0.1323  0.7500  1.0
  Ru  Ru2  8  0.1332  0.1300  0.5067  1.0
]