data_[Na8Mg1Mo2N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8010]
_cell_length_b [6.0037]
_cell_length_c [9.4273]
_cell_angle_alpha [73.1971]
_cell_angle_beta [83.8205]
_cell_angle_gamma [70.8413]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na8MgMo2(NO)4]
_chemical_formula_sum '[Na8 Mg1 Mo2 N4 O4]'
_cell_volume [296.8735]
_cell_formula_units_Z [1]
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  1  0.2364  0.2237  0.2075  1
  Na  Na1  1  0.2376  0.5624  0.4197  1
  Na  Na2  1  0.2391  0.9953  0.5417  1
  Na  Na3  1  0.2508  0.7599  0.9975  1
  Na  Na4  1  0.5849  0.1015  0.0455  1
  Na  Na5  1  0.7146  0.0764  0.4137  1
  Na  Na6  1  0.7498  0.5219  0.5956  1
  Na  Na7  1  0.7926  0.9603  0.7751  1
  Mg  Mg8  1  0.8232  0.4477  0.9655  1
  Mo  Mo9  1  0.2936  0.3915  0.7529  1
  Mo  Mo10  1  0.7284  0.5973  0.2488  1
  N  N11  1  0.0618  0.6784  0.6584  1
  N  N12  1  0.4453  0.2063  0.6265  1
  N  N13  1  0.5092  0.8301  0.3304  1
  N  N14  1  0.9532  0.3682  0.3811  1
  O  O15  1  0.1703  0.2232  0.9618  1
  O  O16  1  0.5820  0.4274  0.8418  1
  O  O17  1  0.5861  0.4073  0.1561  1
  O  O18  1  0.8431  0.7296  0.0305  1
]