data_[Pu6Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.8521]
_cell_length_b [8.4212]
_cell_length_c [10.1314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuNi4]
_chemical_formula_sum '[Pu6 Ni24]'
_cell_volume [408.5309]
_cell_formula_units_Z [6]
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
[
  Pu  Pu0  4  0.1268  0.0000  0.3558  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  8  0.1354  0.3290  0.4053  1
  Ni  Ni3  8  0.1811  0.2490  0.8013  1
  Ni  Ni4  4  0.0000  0.3339  0.0000  1
  Ni  Ni5  4  0.0678  0.5000  0.2004  1
]