data_[Pm12B6Pd36Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6618]
_cell_length_b [5.6618]
_cell_length_c [39.9229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2BPd6Pt]
_chemical_formula_sum '[Pm12 B6 Pd36 Pt6]'
_cell_volume [1108.3009]
_cell_formula_units_Z [6]
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  0.1067  1
  Pm  Pm1  6  0.0000  0.0000  0.2743  1
  B  B2  3  -0.0000  -0.0000  0.5000  1
  B  B3  3  0.0000  0.0000  0.0000  1
  Pd  Pd4  18  0.0099  0.5049  0.3032  1
  Pd  Pd5  18  0.0177  0.5089  0.8629  1
  Pt  Pt6  6  0.0000  0.0000  0.4179  1
]