data_[Nb2Cu4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5044]
_cell_length_b [6.1645]
_cell_length_c [6.7134]
_cell_angle_alpha [111.2206]
_cell_angle_beta [91.3904]
_cell_angle_gamma [102.9838]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nb(CuPd2)2]
_chemical_formula_sum '[Nb2 Cu4 Pd8]'
_cell_volume [205.5233]
_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  1  0.3275  0.8290  0.5416  1.0
  Nb  Nb1  1  0.9108  0.1265  0.9601  1.0
  Cu  Cu2  1  0.1969  0.2663  0.6751  1.0
  Cu  Cu3  1  0.4881  0.4089  0.3972  1.0
  Cu  Cu4  1  0.6234  0.9862  0.2498  1.0
  Cu  Cu5  1  0.6879  0.2705  0.6686  1.0
  Pd  Pd6  1  0.0529  0.7015  0.8223  1.0
  Pd  Pd7  1  0.1373  0.9901  0.2583  1.0
  Pd  Pd8  1  0.2792  0.5539  0.1139  1.0
  Pd  Pd9  1  0.4150  0.1269  0.9585  1.0
  Pd  Pd10  1  0.5518  0.6934  0.8194  1.0
  Pd  Pd11  1  0.7737  0.5409  0.1020  1.0
  Pd  Pd12  1  0.8251  0.8526  0.5352  1.0
  Pd  Pd13  1  0.9803  0.4033  0.3981  1.0
]