data_[K2Pa4P4N12]
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
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9839]
_cell_length_b [6.2710]
_cell_length_c [6.4763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPa2(PN3)2]
_chemical_formula_sum '[K2 Pa4 P4 N12]'
_cell_volume [375.9068]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Pa  Pa1  4  0.1891  0.0000  0.8030  1
  P  P2  4  0.1073  0.0000  0.1705  1
  N  N3  8  0.1900  0.2061  0.1420  1
  N  N4  4  0.0733  0.0000  0.3862  1
]