data_[Nb10As8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.6176]
_cell_length_b [10.6176]
_cell_length_c [3.8178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Nb5(AsPd)4]
_chemical_formula_sum '[Nb10 As8 Pd8]'
_cell_volume [430.3892]
_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  8  0.1183  0.1880  0.5000  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0000  1.0
  As  As2  8  0.0659  0.7561  0.0000  1.0
  Pd  Pd3  8  0.0962  0.6114  0.5000  1.0
]