data_[Nd16Ge4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0675]
_cell_length_b [13.7527]
_cell_length_c [6.3953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4GeRu]
_chemical_formula_sum '[Nd16 Ge4 Ru4]'
_cell_volume [685.2279]
_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  0.1215  0.8179  0.0884  1.0
  Nd  Nd1  8  0.2123  0.4371  0.8029  1.0
  Ge  Ge2  4  0.0000  0.3706  0.2500  1.0
  Ru  Ru3  4  0.0000  0.0009  0.7500  1.0
]