data_[Pr6Al9Cu36Ni3]
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
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2011]
_cell_length_b [6.2011]
_cell_length_c [26.7244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Al3Cu12Ni]
_chemical_formula_sum '[Pr6 Al9 Cu36 Ni3]'
_cell_volume [889.9724]
_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  6  0.0000  0.0000  0.3460  1
  Al  Al1  9  0.0000  0.5000  0.5000  1
  Cu  Cu2  18  0.0579  0.5290  0.5958  1
  Cu  Cu3  18  0.0737  0.5368  0.1166  1
  Ni  Ni4  3  0.0000  0.0000  0.0000  1
]