data_[Pm64Al16Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.7092]
_cell_length_b [13.7092]
_cell_length_c [13.7092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Pm4AlNi]
_chemical_formula_sum '[Pm64 Al16 Ni16]'
_cell_volume [2576.5334]
_cell_formula_units_Z [16]
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
[
  Pm  Pm0  24  0.0000  0.0000  0.1855  1
  Pm  Pm1  24  0.0551  0.2500  0.2500  1
  Pm  Pm2  16  0.1000  0.1000  0.6000  1
  Al  Al3  16  0.1756  0.1756  0.8244  1
  Ni  Ni4  16  0.1077  0.1077  0.3923  1
]