data_[Pr4Ga16Ir4]
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 [Cmcm]
_cell_length_a [4.3303]
_cell_length_b [16.0988]
_cell_length_c [6.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrGa4Ir]
_chemical_formula_sum '[Pr4 Ga16 Ir4]'
_cell_volume [463.2579]
_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  4  0.0000  0.3803  0.7500  1.0
  Ga  Ga1  8  0.0000  0.1838  0.5493  1.0
  Ga  Ga2  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0000  0.4333  0.2500  1.0
  Ir  Ir4  4  0.0000  0.2806  0.2500  1.0
]