data_[Na2Bi2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3011]
_cell_length_b [6.1464]
_cell_length_c [8.7847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaBiN2]
_chemical_formula_sum '[Na2 Bi2 N4]'
_cell_volume [285.9008]
_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
[
  Na  Na0  2  0.4885  0.2500  0.3650  1
  Bi  Bi1  2  0.0000  0.0000  0.5000  1
  N  N2  2  0.2846  0.7500  0.0282  1
  N  N3  2  0.3701  0.7500  0.9145  1
]