data_[Pa4Zn12Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1990]
_cell_length_b [3.9459]
_cell_length_c [8.4347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaZn3Ir2]
_chemical_formula_sum '[Pa4 Zn12 Ir8]'
_cell_volume [412.9440]
_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  4  0.1320  0.0000  0.0130  1
  Zn  Zn1  4  0.0601  0.0000  0.4096  1
  Zn  Zn2  4  0.0992  0.5000  0.6978  1
  Zn  Zn3  4  0.2018  0.5000  0.5142  1
  Ir  Ir4  4  0.0355  0.5000  0.1813  1
  Ir  Ir5  4  0.2359  0.0000  0.7547  1
]