data_[Pm16Al4Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4104]
_cell_length_b [21.9184]
_cell_length_c [6.4354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pm4AlAu]
_chemical_formula_sum '[Pm16 Al4 Au4]'
_cell_volume [763.1623]
_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  4  0.0000  0.1172  0.2968  1
  Pm  Pm1  4  0.0000  0.2842  0.5515  1
  Pm  Pm2  4  0.0000  0.3066  0.0706  1
  Pm  Pm3  4  0.0000  0.4400  0.3548  1
  Al  Al4  4  0.0000  0.1600  0.8170  1
  Au  Au5  4  0.0000  0.4264  0.8427  1
]