data_[Na4Be4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0071]
_cell_length_b [3.0671]
_cell_length_c [6.0016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaBeN]
_chemical_formula_sum '[Na4 Be4 N4]'
_cell_volume [147.4780]
_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
[
  Na  Na0  4  0.0886  0.0000  0.8414  1
  Be  Be1  4  0.2307  0.5000  0.3859  1
  N  N2  4  0.2294  0.0000  0.2972  1
]