data_[Pa6Zn9Cu3Ni36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2558]
_cell_length_b [6.2558]
_cell_length_c [23.5546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pa2Zn3CuNi12]
_chemical_formula_sum '[Pa6 Zn9 Cu3 Ni36]'
_cell_volume [798.3223]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3629  1
  Zn  Zn1  9  0.0000  0.5000  0.5000  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Ni  Ni3  18  0.0472  0.5236  0.3875  1
  Ni  Ni4  18  0.0775  0.5388  0.1192  1
]