data_[Pm36Si18N3]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5602]
_cell_length_b [12.5602]
_cell_length_c [11.9968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm12Si6N]
_chemical_formula_sum '[Pm36 Si18 N3]'
_cell_volume [1639.0313]
_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  0.0350  0.2078  0.3929  1
  Pm  Pm1  18  0.0479  0.1905  0.8840  1
  Si  Si2  18  0.0545  0.4429  0.3188  1
  N  N3  3  0.0000  0.0000  0.0000  1
]