data_[Nd4Ge12Ru8]
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 [Cmcm]
_cell_length_a [9.6779]
_cell_length_b [7.7636]
_cell_length_c [5.7795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdGe3Ru2]
_chemical_formula_sum '[Nd4 Ge12 Ru8]'
_cell_volume [434.2447]
_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  0.3469  0.2500  1
  Ge  Ge1  8  0.1707  0.2888  0.7500  1
  Ge  Ge2  4  0.0000  0.0354  0.7500  1
  Ru  Ru3  8  0.2079  0.0000  0.0000  1
]