data_[Pa16B24Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.2470]
_cell_length_b [7.5740]
_cell_length_c [12.5584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pa2B3Ru]
_chemical_formula_sum '[Pa16 B24 Ru8]'
_cell_volume [689.3085]
_cell_formula_units_Z [8]
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  0.0000  0.2377  0.5000  1
  Pa  Pa1  8  0.2500  0.2500  0.2500  1
  B  B2  16  0.2175  0.0000  0.0723  1
  B  B3  8  0.0000  0.0000  0.1414  1
  Ru  Ru4  8  0.0000  0.0000  0.3287  1
]