data_[Nd4Cu4Ru4]
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 [Cm]
_cell_length_a [10.2739]
_cell_length_b [4.3552]
_cell_length_c [5.3920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NdCuRu]
_chemical_formula_sum '[Nd4 Cu4 Ru4]'
_cell_volume [240.0908]
_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  2  0.2957  0.5000  0.4158  1.0
  Nd  Nd1  2  0.3868  0.0000  0.9278  1.0
  Cu  Cu2  2  0.0871  0.0000  0.1524  1.0
  Cu  Cu3  2  0.1694  0.5000  0.9118  1.0
  Ru  Ru4  2  0.0256  0.5000  0.4634  1.0
  Ru  Ru5  2  0.0797  0.0000  0.6528  1.0
]