data_[Pr16Bi4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7058]
_cell_length_b [4.7897]
_cell_length_c [7.8765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Bi2Ir]
_chemical_formula_sum '[Pr16 Bi4 Ir2]'
_cell_volume [734.9906]
_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
[
  Pr  Pr0  4  0.0045  0.0000  0.7822  1.0
  Pr  Pr1  4  0.0938  0.5000  0.5108  1.0
  Pr  Pr2  4  0.1434  0.5000  0.0323  1.0
  Pr  Pr3  4  0.2139  0.0000  0.3525  1.0
  Bi  Bi4  4  0.1826  0.0000  0.7690  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]