data_[Pr64Ga16Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [14.0260]
_cell_length_b [14.0260]
_cell_length_c [14.0260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Pr4GaIr]
_chemical_formula_sum '[Pr64 Ga16 Ir16]'
_cell_volume [2759.3254]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.3107  1
  Pr  Pr1  24  0.0542  0.2500  0.7500  1
  Pr  Pr2  16  0.1017  0.1017  0.1017  1
  Ga  Ga3  16  0.1714  0.1714  0.3286  1
  Ir  Ir4  16  0.1083  0.3917  0.6083  1
]