data_[Pr6Al6Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2930]
_cell_length_b [10.1005]
_cell_length_c [13.1847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Al3Ga8]
_chemical_formula_sum '[Pr6 Al6 Ga16]'
_cell_volume [571.7038]
_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  0.1826  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.2190  0.0000  1.0
  Al  Al3  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga4  8  0.0000  0.2760  0.3618  1.0
  Ga  Ga5  8  0.0000  0.3706  0.1656  1.0
]