data_[Pa8Co12B20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.4956]
_cell_length_b [10.5593]
_cell_length_c [4.9605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pa2Co3B5]
_chemical_formula_sum '[Pa8 Co12 B20]'
_cell_volume [444.9928]
_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  0.2299  0.3751  0.0000  1
  Co  Co1  8  0.1021  0.3588  0.5000  1
  Co  Co2  4  0.0000  0.0000  0.2500  1
  B  B3  8  0.0000  0.2074  0.2500  1
  B  B4  8  0.1251  0.1257  0.0000  1
  B  B5  4  0.0000  0.5000  0.2500  1
]