data_[Pa12P12Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0387]
_cell_length_b [10.4292]
_cell_length_c [13.9562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pa3P3Ru2]
_chemical_formula_sum '[Pa12 P12 Ru8]'
_cell_volume [587.8413]
_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  0.0000  0.0779  0.6092  1
  Pa  Pa1  4  0.0000  0.3598  0.7500  1
  P  P2  8  0.0000  0.3813  0.5439  1
  P  P3  4  0.0000  0.3563  0.2500  1
  Ru  Ru4  8  0.0000  0.2183  0.1052  1
]