data_[Pa2B7Ru12]
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 [P-6]
_cell_length_a [8.9874]
_cell_length_b [8.9874]
_cell_length_c [3.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pa2B7Ru12]
_chemical_formula_sum '[Pa2 B7 Ru12]'
_cell_volume [264.3165]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pa  Pa1  1  0.6667  0.3333  0.0000  1
  B  B2  3  0.0219  0.2625  0.0000  1
  B  B3  3  0.4334  0.3806  0.5000  1
  B  B4  1  0.3333  0.6667  0.0000  1
  Ru  Ru5  3  0.0591  0.5163  0.0000  1
  Ru  Ru6  3  0.2181  0.7616  0.5000  1
  Ru  Ru7  3  0.2476  0.2272  0.0000  1
  Ru  Ru8  3  0.3884  0.1131  0.5000  1
]