data_[Pm3Pr1Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6618]
_cell_length_b [5.6618]
_cell_length_c [9.3324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pm3PrAl8]
_chemical_formula_sum '[Pm3 Pr1 Al8]'
_cell_volume [259.0829]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5681  1
  Pm  Pm1  1  0.0000  0.0000  0.9319  1
  Pm  Pm2  1  0.6667  0.3333  0.0678  1
  Pm  Pm3  1  0.6667  0.3333  0.4314  1
  Al  Al4  3  0.1623  0.3246  0.2488  1
  Al  Al5  3  0.5045  0.4955  0.7515  1
  Al  Al6  1  0.3333  0.6667  0.0006  1
  Al  Al7  1  0.3333  0.6667  0.4994  1
]