data_[Li4Be4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.5418]
_cell_length_b [4.7571]
_cell_length_c [5.7971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiBeN]
_chemical_formula_sum '[Li4 Be4 N4]'
_cell_volume [102.6106]
_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
[
  Li  Li0  4  0.3248  0.0431  0.5905  1.0
  Be  Be1  4  0.0797  0.6084  0.3924  1.0
  N  N2  4  0.1501  0.6951  0.6996  1.0
]