data_[Li4Se4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3940]
_cell_length_b [4.6123]
_cell_length_c [8.8711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSeN]
_chemical_formula_sum '[Li4 Se4 N4]'
_cell_volume [301.7871]
_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  0.2099  0.5000  0.8829  1
  Se  Se1  4  0.0561  0.0000  0.8743  1
  N  N2  4  0.0577  0.5000  0.5439  1
]