data_[Nd4As12Ru20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0047]
_cell_length_b [12.7208]
_cell_length_c [12.2412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdAs3Ru5]
_chemical_formula_sum '[Nd4 As12 Ru20]'
_cell_volume [623.6060]
_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  4  0.0000  0.1702  0.2500  1
  As  As1  8  0.0000  0.3835  0.5484  1
  As  As2  4  0.0000  0.1253  0.7500  1
  Ru  Ru3  8  0.0000  0.2000  0.5708  1
  Ru  Ru4  8  0.0000  0.4454  0.1473  1
  Ru  Ru5  4  0.0000  0.0000  0.0000  1
]