data_[Be2N12O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2139]
_cell_length_b [8.2130]
_cell_length_c [14.7280]
_cell_angle_alpha [89.6236]
_cell_angle_beta [77.7989]
_cell_angle_gamma [72.3857]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Be(N3O7)2]
_chemical_formula_sum '[Be2 N12 O28]'
_cell_volume [811.3674]
_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
[
  Be  Be0  1  0.7524  0.5719  0.4851  1
  Be  Be1  1  0.8312  0.0277  0.0375  1
  N  N2  1  0.0172  0.9762  0.4040  1
  N  N3  1  0.0765  0.6918  0.6755  1
  N  N4  1  0.1810  0.4322  0.1329  1
  N  N5  1  0.2233  0.8386  0.9485  1
  N  N6  1  0.3542  0.0814  0.7008  1
  N  N7  1  0.4873  0.5845  0.4442  1
  N  N8  1  0.6820  0.1409  0.8926  1
  N  N9  1  0.7630  0.6040  0.8199  1
  N  N10  1  0.8362  0.7264  0.0913  1
  N  N11  1  0.9145  0.7001  0.3469  1
  N  N12  1  0.9331  0.1232  0.1792  1
  N  N13  1  0.9878  0.3116  0.5204  1
  O  O14  1  0.0214  0.8322  0.6461  1
  O  O15  1  0.0352  0.1993  0.2050  1
  O  O16  1  0.1036  0.2364  0.5662  1
  O  O17  1  0.1905  0.9518  0.3949  1
  O  O18  1  0.1913  0.1724  0.7399  1
  O  O19  1  0.2005  0.3568  0.9381  1
  O  O20  1  0.2043  0.9003  0.8745  1
  O  O21  1  0.2217  0.5687  0.6519  1
  O  O22  1  0.3178  0.4120  0.8829  1
  O  O23  1  0.3304  0.4528  0.2937  1
  O  O24  1  0.3309  0.4176  0.1503  1
  O  O25  1  0.3641  0.7542  0.9782  1
  O  O26  1  0.4837  0.0559  0.2359  1
  O  O27  1  0.4862  0.1001  0.6397  1
  O  O28  1  0.5035  0.6800  0.5096  1
  O  O29  1  0.5440  0.0494  0.3085  1
  O  O30  1  0.6610  0.4797  0.4088  1
  O  O31  1  0.6752  0.6378  0.7572  1
  O  O32  1  0.6915  0.9980  0.8672  1
  O  O33  1  0.7408  0.6282  0.1021  1
  O  O34  1  0.7430  0.1662  0.9674  1
  O  O35  1  0.7565  0.8704  0.0479  1
  O  O36  1  0.8604  0.0719  0.4401  1
  O  O37  1  0.8658  0.4662  0.5570  1
  O  O38  1  0.8729  0.7037  0.4356  1
  O  O39  1  0.9237  0.6174  0.8258  1
  O  O40  1  0.9630  0.1014  0.0863  1
  O  O41  1  0.9874  0.8086  0.3106  1
]