data_[K30Re14N38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8299]
_cell_length_b [12.5461]
_cell_length_c [19.3257]
_cell_angle_alpha [90.8810]
_cell_angle_beta [94.3961]
_cell_angle_gamma [99.4614]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K15Re7N19]
_chemical_formula_sum '[K30 Re14 N38]'
_cell_volume [1628.0098]
_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
[
  K  K0  2  0.0242  0.6588  0.9847  1
  K  K1  2  0.0673  0.9616  0.6148  1
  K  K2  2  0.0838  0.3387  0.2140  1
  K  K3  2  0.1334  0.8267  0.1643  1
  K  K4  2  0.1346  0.0983  0.0998  1
  K  K5  2  0.2272  0.2504  0.7205  1
  K  K6  2  0.2542  0.7347  0.6161  1
  K  K7  2  0.2786  0.9773  0.8050  1
  K  K8  2  0.2845  0.9172  0.9932  1
  K  K9  2  0.3811  0.8644  0.3483  1
  K  K10  2  0.3917  0.1058  0.4671  1
  K  K11  2  0.3947  0.6194  0.1571  1
  K  K12  2  0.3993  0.5502  0.7215  1
  K  K13  2  0.4792  0.3774  0.5625  1
  K  K14  1  0.0000  0.5000  0.5000  1
  K  K15  1  0.5000  0.5000  0.0000  1
  Re  Re16  2  0.0139  0.2179  0.5497  1
  Re  Re17  2  0.1301  0.5926  0.3149  1
  Re  Re18  2  0.1371  0.4527  0.8619  1
  Re  Re19  2  0.2505  0.3444  0.3932  1
  Re  Re20  2  0.3171  0.2059  0.9426  1
  Re  Re21  2  0.3359  0.1203  0.2741  1
  Re  Re22  2  0.4241  0.7295  0.8744  1
  N  N23  2  0.0502  0.4198  0.7651  1
  N  N24  2  0.0555  0.6745  0.3899  1
  N  N25  2  0.0649  0.5213  0.0922  1
  N  N26  2  0.0889  0.1092  0.9487  1
  N  N27  2  0.1033  0.2926  0.4691  1
  N  N28  2  0.1088  0.4470  0.3511  1
  N  N29  2  0.1336  0.0113  0.2498  1
  N  N30  2  0.1965  0.8883  0.4716  1
  N  N31  2  0.2031  0.7878  0.8766  1
  N  N32  2  0.2259  0.1674  0.5898  1
  N  N33  2  0.2459  0.3289  0.8981  1
  N  N34  2  0.2483  0.2298  0.3287  1
  N  N35  2  0.3446  0.5750  0.8640  1
  N  N36  2  0.3790  0.6414  0.2942  1
  N  N37  2  0.4181  0.2143  0.1957  1
  N  N38  2  0.4291  0.2433  0.0363  1
  N  N39  2  0.4525  0.9258  0.6825  1
  N  N40  2  0.4982  0.1525  0.8946  1
  N  N41  2  0.4983  0.6003  0.5790  1
]