data_[Pr6Ga18Ir4]
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 [Immm]
_cell_length_a [4.3417]
_cell_length_b [9.6792]
_cell_length_c [12.8117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Ga9Ir2]
_chemical_formula_sum '[Pr6 Ga18 Ir4]'
_cell_volume [538.3951]
_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  0.0000  0.0000  0.2998  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  8  0.0000  0.2810  0.1308  1.0
  Ga  Ga3  8  0.0000  0.3615  0.3440  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir5  4  0.0000  0.1860  0.5000  1.0
]