data_[Pm36Si3Ag18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5766]
_cell_length_b [11.5766]
_cell_length_c [13.9715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12SiAg6]
_chemical_formula_sum '[Pm36 Si3 Ag18]'
_cell_volume [1621.5759]
_cell_formula_units_Z [3]
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  18  0.0247  0.8379  0.8447  1
  Pm  Pm1  18  0.0619  0.2045  0.4009  1
  Si  Si2  3  0.0000  0.0000  0.0000  1
  Ag  Ag3  18  0.0210  0.5967  0.7141  1
]