data_[Pr12Ga3Ir6]
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 [R-3m]
_cell_length_a [4.8603]
_cell_length_b [4.8603]
_cell_length_c [28.4533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr4GaIr2]
_chemical_formula_sum '[Pr12 Ga3 Ir6]'
_cell_volume [582.0915]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2049  1.0
  Pr  Pr1  6  0.0000  0.0000  0.3827  1.0
  Ga  Ga2  3  0.0000  0.0000  0.0000  1.0
  Ir  Ir3  6  0.0000  0.0000  0.0928  1.0
]