data_[Ba4Li4Mo4N8]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [5.3409]
_cell_length_b [11.8203]
_cell_length_c [5.1162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [BaLiMoN2]
_chemical_formula_sum '[Ba4 Li4 Mo4 N8]'
_cell_volume [322.9934]
_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  0.0000  0.2500  0.2555  1
  Li  Li1  4  0.0000  0.0000  0.5000  1
  Mo  Mo2  4  0.2500  0.0000  0.0000  1
  N  N3  8  0.0000  0.0996  0.8029  1
]