data_[Dy4Pa12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Pa  1.5000  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5455]
_cell_length_b [4.6777]
_cell_length_c [7.6750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyPa3Ir2]
_chemical_formula_sum '[Dy4 Pa12 Ir8]'
_cell_volume [540.0040]
_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
[
  Dy  Dy0  4  0.1227  0.0000  0.1931  1
  Pa  Pa1  4  0.0606  0.0000  0.6986  1
  Pa  Pa2  4  0.1232  0.5000  0.5367  1
  Pa  Pa3  4  0.1933  0.5000  0.9574  1
  Ir  Ir4  4  0.0131  0.5000  0.8397  1
  Ir  Ir5  4  0.2438  0.0000  0.6383  1
]