data_[Pm6Mn3Al36Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3222]
_cell_length_b [6.3222]
_cell_length_c [28.4542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2Mn(Al4Ni)3]
_chemical_formula_sum '[Pm6 Mn3 Al36 Ni9]'
_cell_volume [984.9406]
_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  0.3586  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Al  Al2  18  0.0322  0.5161  0.6015  1
  Al  Al3  18  0.0523  0.5261  0.1234  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]