data_[Pa2Zn22Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1471]
_cell_length_b [12.8936]
_cell_length_c [6.6349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaZn11Ru]
_chemical_formula_sum '[Pa2 Zn22 Ru2]'
_cell_volume [410.2609]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  8  0.1075  0.3912  0.2163  1
  Zn  Zn2  8  0.1585  0.1739  0.3567  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Zn  Zn4  2  0.0000  0.5000  0.5000  1
  Ru  Ru5  2  0.0000  0.0000  0.5000  1
]