data_[Rb6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.0682]
_cell_length_b [9.0682]
_cell_length_c [18.4901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Rb3N]
_chemical_formula_sum '[Rb6 N2]'
_cell_volume [1316.7599]
_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
[
  Rb  Rb0  3  0.0000  0.5000  0.5752  1
  Rb  Rb1  2  0.3333  0.6667  0.3864  1
  Rb  Rb2  1  0.0000  0.0000  0.4336  1
  N  N3  2  0.3333  0.6667  0.5340  1
]