data_[Nb4Ge2Pd12]
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 [Cmmm]
_cell_length_a [5.6610]
_cell_length_b [13.3078]
_cell_length_c [4.0470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nb2GePd6]
_chemical_formula_sum '[Nb4 Ge2 Pd12]'
_cell_volume [304.8881]
_cell_formula_units_Z [2]
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  0.2586  0.5000  1
  Ge  Ge1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.2456  0.3503  0.0000  1
  Pd  Pd3  4  0.2368  0.5000  0.5000  1
]