data_[Pm6Al14Au8]
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 [C2/m]
_cell_length_a [16.2531]
_cell_length_b [4.3842]
_cell_length_c [9.8166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Al7Au4]
_chemical_formula_sum '[Pm6 Al14 Au8]'
_cell_volume [561.6605]
_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  4  0.1873  0.5000  0.1845  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0003  0.5000  0.7905  1
  Al  Al3  4  0.1510  0.0000  0.9232  1
  Al  Al4  4  0.1749  0.5000  0.5340  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1285  0.0000  0.3535  1
  Au  Au7  4  0.1552  0.5000  0.7801  1
]