data_[Pm12As8Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.8026]
_cell_length_b [12.1051]
_cell_length_c [5.9852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pm3As2Pd5]
_chemical_formula_sum '[Pm12 As8 Pd20]'
_cell_volume [855.1075]
_cell_formula_units_Z [4]
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  0.1170  0.3013  0.0000  1
  Pm  Pm1  4  0.0000  0.0000  0.2500  1
  As  As2  8  0.1367  0.1539  0.5000  1
  Pd  Pd3  8  0.1327  0.3538  0.5000  1
  Pd  Pd4  8  0.2469  0.0000  0.2500  1
  Pd  Pd5  4  0.0000  0.5000  0.2500  1
]