data_[Na2Si1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8407]
_cell_length_b [2.9583]
_cell_length_c [17.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na2SiN2]
_chemical_formula_sum '[Na2 Si1 N2]'
_cell_volume [304.5015]
_cell_formula_units_Z [1]
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  1  0.1048  0.5000  0.5749  1
  Na  Na1  1  0.1508  0.0000  0.4261  1
  Si  Si2  1  0.6049  0.0000  0.4972  1
  N  N3  1  0.4450  0.5000  0.4853  1
  N  N4  1  0.8784  0.0000  0.5165  1
]