data_[Nb4Ge4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9343]
_cell_length_b [9.8070]
_cell_length_c [7.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbGePd5]
_chemical_formula_sum '[Nb4 Ge4 Pd20]'
_cell_volume [466.5233]
_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
[
  Nb  Nb0  4  0.0000  0.4487  0.7500  1
  Ge  Ge1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1242  0.3317  0.1479  1
  Pd  Pd3  8  0.2273  0.0995  0.3895  1
  Pd  Pd4  4  0.0000  0.1809  0.7500  1
]