data_[Pm4Al16Ni8]
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 [Pnma]
_cell_length_a [17.0109]
_cell_length_b [4.1709]
_cell_length_c [6.4696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pm(Al2Ni)2]
_chemical_formula_sum '[Pm4 Al16 Ni8]'
_cell_volume [459.0234]
_cell_formula_units_Z [4]
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  4  0.1362  0.7500  0.5172  1
  Al  Al1  4  0.0334  0.2500  0.3158  1
  Al  Al2  4  0.0757  0.7500  0.0046  1
  Al  Al3  4  0.1872  0.2500  0.8290  1
  Al  Al4  4  0.1980  0.2500  0.2283  1
  Ni  Ni5  4  0.0385  0.2500  0.7534  1
  Ni  Ni6  4  0.2181  0.7500  0.0311  1
]