data_[Al12V16Mo8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7364]
_cell_length_b [5.0517]
_cell_length_c [13.5465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al3V4Mo2N3]
_chemical_formula_sum '[Al12 V16 Mo8 N12]'
_cell_volume [584.0061]
_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
[
  Al  Al0  8  0.1738  0.4078  0.2512  1
  Al  Al1  4  0.0000  0.0722  0.7500  1
  V  V2  8  0.1115  0.0890  0.0841  1
  V  V3  8  0.2250  0.0798  0.4161  1
  Mo  Mo4  8  0.0494  0.4201  0.9071  1
  N  N5  8  0.0885  0.2341  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]