data_[Pa9Re6B21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1182]
_cell_length_b [5.1182]
_cell_length_c [19.2340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pa3Re2B7]
_chemical_formula_sum '[Pa9 Re6 B21]'
_cell_volume [436.3457]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1444  1
  Pa  Pa1  3  0.0000  0.0000  0.0000  1
  Re  Re2  6  0.0000  0.0000  0.3012  1
  B  B3  18  0.0984  0.5492  0.0827  1
  B  B4  3  -0.0000  -0.0000  0.5000  1
]