data_[Pa3Ni24Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9026]
_cell_length_b [4.9026]
_cell_length_c [23.8024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PaNi8Au3]
_chemical_formula_sum '[Pa3 Ni24 Au9]'
_cell_volume [495.4502]
_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  3  0.0000  0.0000  0.8758  1
  Ni  Ni1  9  0.0002  0.5001  0.4377  1
  Ni  Ni2  9  0.1668  0.3335  0.2712  1
  Ni  Ni3  3  0.0000  0.0000  0.1876  1
  Ni  Ni4  3  0.0000  0.0000  0.6876  1
  Au  Au5  3  0.0000  0.0000  0.0032  1
  Au  Au6  3  0.0000  0.0000  0.3733  1
  Au  Au7  3  0.0000  0.0000  0.4958  1
]