data_[Pm6Cu3Si9Ni36]
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
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4715]
_cell_length_b [8.4715]
_cell_length_c [11.8688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2Cu(SiNi4)3]
_chemical_formula_sum '[Pm6 Cu3 Si9 Ni36]'
_cell_volume [737.6549]
_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  6  0.0000  0.0000  0.3472  1
  Si  Si1  9  0.0000  0.5000  0.5000  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Ni  Ni3  18  0.0124  0.5062  0.8896  1
  Ni  Ni4  18  0.0135  0.5068  0.6920  1
]