data_[K3Pa9Si12N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.2447]
_cell_length_b [11.2447]
_cell_length_c [8.6952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KPa3(SiN3)4]
_chemical_formula_sum '[K3 Pa9 Si12 N36]'
_cell_volume [952.1592]
_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
[
  K  K0  3  0.0000  0.0000  0.0000  1
  Pa  Pa1  9  0.0000  0.5479  0.0000  1
  Si  Si2  9  0.0000  0.4533  0.5000  1
  Si  Si3  3  0.0000  0.0000  0.5000  1
  N  N4  18  0.0289  0.2180  0.1933  1
  N  N5  9  0.0000  0.6024  0.5000  1
  N  N6  9  0.0000  0.8500  0.5000  1
]