data_[Pa12Fe24Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6567]
_cell_length_b [8.6567]
_cell_length_c [8.6567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Pa3(Fe3Si)2]
_chemical_formula_sum '[Pa12 Fe24 Si8]'
_cell_volume [648.7300]
_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  12  0.0000  0.0000  0.2844  1
  Fe  Fe1  24  0.0000  0.3484  0.6516  1
  Si  Si2  8  0.2500  0.2500  0.2500  1
]