data_[Na30Mo14N38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2429]
_cell_length_b [11.7519]
_cell_length_c [18.8228]
_cell_angle_alpha [91.6014]
_cell_angle_beta [93.6293]
_cell_angle_gamma [102.5995]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na15Mo7N19]
_chemical_formula_sum '[Na30 Mo14 N38]'
_cell_volume [1343.7529]
_cell_formula_units_Z [2]
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
[
  Na  Na0  2  0.0397  0.6436  0.9944  1
  Na  Na1  2  0.0862  0.9809  0.6335  1
  Na  Na2  2  0.1044  0.0896  0.0847  1
  Na  Na3  2  0.1063  0.3098  0.1970  1
  Na  Na4  2  0.1354  0.2333  0.7040  1
  Na  Na5  2  0.1773  0.8388  0.1658  1
  Na  Na6  2  0.2603  0.0016  0.8057  1
  Na  Na7  2  0.3054  0.8897  0.0049  1
  Na  Na8  2  0.3055  0.7700  0.6060  1
  Na  Na9  2  0.3288  0.0785  0.4797  1
  Na  Na10  2  0.3410  0.5245  0.7035  1
  Na  Na11  2  0.4312  0.6299  0.1629  1
  Na  Na12  2  0.4512  0.8511  0.3625  1
  Na  Na13  2  0.4579  0.3771  0.5508  1
  Na  Na14  1  0.0000  0.5000  0.5000  1
  Na  Na15  1  0.5000  0.5000  0.0000  1
  Mo  Mo16  2  0.0392  0.7671  0.4588  1
  Mo  Mo17  2  0.0970  0.4582  0.8566  1
  Mo  Mo18  2  0.2069  0.5886  0.3067  1
  Mo  Mo19  2  0.2610  0.3326  0.3858  1
  Mo  Mo20  2  0.2993  0.2174  0.9441  1
  Mo  Mo21  2  0.3276  0.0801  0.2769  1
  Mo  Mo22  2  0.4125  0.7516  0.8685  1
  N  N23  2  0.0335  0.1177  0.9458  1
  N  N24  2  0.0376  0.6320  0.2265  1
  N  N25  2  0.0741  0.3244  0.4618  1
  N  N26  2  0.1006  0.9545  0.2624  1
  N  N27  2  0.1137  0.5058  0.0927  1
  N  N28  2  0.1236  0.6609  0.3880  1
  N  N29  2  0.1635  0.4229  0.3108  1
  N  N30  2  0.1760  0.1673  0.5795  1
  N  N31  2  0.1898  0.8229  0.8777  1
  N  N32  2  0.2535  0.1792  0.3538  1
  N  N33  2  0.2565  0.3696  0.9131  1
  N  N34  2  0.2806  0.8752  0.4907  1
  N  N35  2  0.2971  0.5949  0.8294  1
  N  N36  2  0.3750  0.1653  0.1889  1
  N  N37  2  0.4245  0.9636  0.6924  1
  N  N38  2  0.4456  0.2445  0.0388  1
  N  N39  2  0.4636  0.5950  0.5825  1
  N  N40  2  0.4779  0.1618  0.8862  1
  N  N41  2  0.4901  0.6484  0.2954  1
]