data_[Pa8Si20Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.4555]
_cell_length_b [11.2755]
_cell_length_c [5.7304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pa2Si5Ni3]
_chemical_formula_sum '[Pa8 Si20 Ni12]'
_cell_volume [610.9529]
_cell_formula_units_Z [4]
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  8  0.2337  0.3684  0.5000  1
  Si  Si1  8  0.0000  0.2270  0.2500  1
  Si  Si2  8  0.1532  0.1063  0.5000  1
  Si  Si3  4  0.0000  0.5000  0.2500  1
  Ni  Ni4  8  0.1079  0.3620  0.0000  1
  Ni  Ni5  4  0.0000  0.0000  0.2500  1
]