data_[Rb12P24N44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [10.4763]
_cell_length_b [10.4763]
_cell_length_c [10.4763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [213]
_chemical_formula_structural [Rb3P6N11]
_chemical_formula_sum '[Rb12 P24 N44]'
_cell_volume [1149.7922]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  8  0.0141  0.5141  0.9859  1
  Rb  Rb1  4  0.1250  0.3750  0.6250  1
  P  P2  24  0.0374  0.1789  0.9505  1
  N  N3  24  0.0113  0.6493  0.2219  1
  N  N4  12  0.0545  0.1250  0.8045  1
  N  N5  8  0.0481  0.0481  0.0481  1
]