data_[Pr4Nd16Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.1470]
_cell_length_b [7.6205]
_cell_length_c [16.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [PrNd4Ru]
_chemical_formula_sum '[Pr4 Nd16 Ru4]'
_cell_volume [776.7979]
_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
[
  Pr  Pr0  4  0.0000  0.0000  0.2002  1.0
  Nd  Nd1  8  0.0000  0.2451  0.6127  1.0
  Nd  Nd2  4  0.0000  0.2077  0.0000  1.0
  Nd  Nd3  4  0.0000  0.5000  0.1697  1.0
  Ru  Ru4  4  0.2408  0.0000  0.5000  1.0
]