data_[Pm36Si3Pb18]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.6204]
_cell_length_b [13.6204]
_cell_length_c [12.7914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12SiPb6]
_chemical_formula_sum '[Pm36 Si3 Pb18]'
_cell_volume [2055.0708]
_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  0.0316  0.8341  0.3922  1
  Pm  Pm1  18  0.0550  0.8549  0.8808  1
  Si  Si2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  18  0.0465  0.7683  0.6472  1
]