data_[Ni20As12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6425]
_cell_length_b [12.6976]
_cell_length_c [11.0535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ni5As3Pd]
_chemical_formula_sum '[Ni20 As12 Pd4]'
_cell_volume [511.2332]
_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
[
  Ni  Ni0  8  0.0000  0.1971  0.5507  1
  Ni  Ni1  8  0.0000  0.4288  0.1344  1
  Ni  Ni2  4  0.0000  0.0000  0.0000  1
  As  As3  8  0.0000  0.3801  0.5765  1
  As  As4  4  0.0000  0.1390  0.7500  1
  Pd  Pd5  4  0.0000  0.0646  0.2500  1
]