data_[Pr8Ga20Ir12]
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 [Ibam]
_cell_length_a [10.1541]
_cell_length_b [12.8095]
_cell_length_c [5.8431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Ga5Ir3]
_chemical_formula_sum '[Pr8 Ga20 Ir12]'
_cell_volume [760.0122]
_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
[
  Pr  Pr0  8  0.2288  0.3632  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2074  0.2500  1.0
  Ga  Ga2  8  0.1697  0.0911  0.5000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Ir  Ir4  8  0.0961  0.3524  0.0000  1.0
  Ir  Ir5  4  0.0000  0.0000  0.2500  1.0
]