data_[Ba4Li4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4064]
_cell_length_b [7.0774]
_cell_length_c [6.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaLiN]
_chemical_formula_sum '[Ba4 Li4 N4]'
_cell_volume [267.9048]
_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
[
  Ba  Ba0  4  0.2673  0.0807  0.1682  1
  Li  Li1  4  0.0708  0.6333  0.1067  1
  N  N2  4  0.0407  0.1298  0.7487  1
]