data_[Pm12Al8Ag12]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6140]
_cell_length_b [10.9673]
_cell_length_c [15.2025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Al2Ag3]
_chemical_formula_sum '[Pm12 Al8 Ag12]'
_cell_volume [769.3042]
_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  0.0000  0.0908  0.6054  1
  Pm  Pm1  4  0.0000  0.3910  0.7500  1
  Al  Al2  8  0.0000  0.2028  0.0992  1
  Ag  Ag3  8  0.0000  0.3814  0.5406  1
  Ag  Ag4  4  0.0000  0.3237  0.2500  1
]