data_[Pm4Al4Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2021]
_cell_length_b [6.2021]
_cell_length_c [11.8220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [PmAlPd3]
_chemical_formula_sum '[Pm4 Al4 Pd12]'
_cell_volume [393.8164]
_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  2  0.0000  0.0000  0.0000  1
  Pm  Pm1  2  0.3333  0.6667  0.2500  1
  Al  Al2  4  0.3333  0.6667  0.6391  1
  Pd  Pd3  6  0.0000  0.5000  0.0000  1
  Pd  Pd4  6  0.1422  0.2843  0.7500  1
]