data_[Pa16P24Ru20]
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 [Cmc2_1]
_cell_length_a [3.9014]
_cell_length_b [18.5948]
_cell_length_c [14.6177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa4P6Ru5]
_chemical_formula_sum '[Pa16 P24 Ru20]'
_cell_volume [1060.4546]
_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  4  0.0000  0.0129  0.5055  1
  Pa  Pa1  4  0.0000  0.0187  0.7588  1
  Pa  Pa2  4  0.0000  0.1717  0.3123  1
  Pa  Pa3  4  0.0000  0.1786  0.9429  1
  P  P4  4  0.0000  0.1233  0.1232  1
  P  P5  4  0.0000  0.2219  0.5010  1
  P  P6  4  0.0000  0.2273  0.7559  1
  P  P7  4  0.0000  0.4138  0.1312  1
  P  P8  4  0.0000  0.4264  0.3977  1
  P  P9  4  0.0000  0.4303  0.8647  1
  Ru  Ru10  4  0.0000  0.1504  0.6308  1
  Ru  Ru11  4  0.0000  0.3051  0.6271  1
  Ru  Ru12  4  0.0000  0.3446  0.2763  1
  Ru  Ru13  4  0.0000  0.3509  0.9860  1
  Ru  Ru14  4  0.0000  0.4581  0.6419  1
]