data_[Pa6Co3Cu9Ni36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  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 [6.1790]
_cell_length_b [6.1790]
_cell_length_c [23.3804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pa2Co(CuNi4)3]
_chemical_formula_sum '[Pa6 Co3 Cu9 Ni36]'
_cell_volume [773.0753]
_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  0.3609  1
  Co  Co1  3  0.0000  0.0000  0.0000  1
  Cu  Cu2  9  0.0000  0.5000  0.5000  1
  Ni  Ni3  18  0.0311  0.5155  0.3899  1
  Ni  Ni4  18  0.0777  0.5388  0.1187  1
]