data_[Pa4Si2B2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6372]
_cell_length_b [8.3781]
_cell_length_c [7.1703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pa2SiBIr6]
_chemical_formula_sum '[Pa4 Si2 B2 Ir12]'
_cell_volume [338.6504]
_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  4  0.0000  0.2223  0.7272  1
  Si  Si1  2  0.0000  0.5000  0.3182  1
  B  B2  2  0.0000  0.0000  0.1972  1
  Ir  Ir3  4  0.0000  0.2497  0.1530  1
  Ir  Ir4  4  0.2440  0.5000  0.0109  1
  Ir  Ir5  4  0.2500  0.5000  0.5863  1
]