data_[Pm36Cu18Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5132]
_cell_length_b [12.5132]
_cell_length_c [12.1301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12Cu6Ni]
_chemical_formula_sum '[Pm36 Cu18 Ni3]'
_cell_volume [1644.8602]
_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
[
  Pm  Pm0  18  0.0252  0.2018  0.3911  1
  Pm  Pm1  18  0.0405  0.1972  0.8776  1
  Cu  Cu2  18  0.0459  0.2733  0.6437  1
  Ni  Ni3  3  0.0000  0.0000  0.0000  1
]