data_[Pr36Ho18Al3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0874]
_cell_length_b [12.0874]
_cell_length_c [15.3586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Ho6Al]
_chemical_formula_sum '[Pr36 Ho18 Al3]'
_cell_volume [1943.3485]
_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  18  0.0135  0.1784  0.8145  1
  Pr  Pr1  18  0.0504  0.8478  0.4137  1
  Ho  Ho2  18  0.0328  0.4395  0.6942  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
]