data_[Pm12Al2Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7278]
_cell_length_b [10.4659]
_cell_length_c [6.6478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6AlRu]
_chemical_formula_sum '[Pm12 Al2 Ru2]'
_cell_volume [521.9586]
_cell_formula_units_Z [2]
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  8  0.1501  0.3211  0.7821  1
  Pm  Pm1  4  0.2132  0.0000  0.6630  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  2  0.0000  0.5000  0.5000  1
]