data_[Pa4Cu6Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1069]
_cell_length_b [6.9243]
_cell_length_c [5.4285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2Cu3Pd8]
_chemical_formula_sum '[Pa4 Cu6 Pd16]'
_cell_volume [451.7432]
_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
[
  Pa  Pa0  4  0.2126  0.0000  0.2499  1
  Cu  Cu1  4  0.0000  0.1729  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  8  0.1062  0.3085  0.4145  1
  Pd  Pd4  4  0.0968  0.5000  0.8970  1
  Pd  Pd5  4  0.1976  0.0000  0.7629  1
]