data_[Mg1H32N8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7351]
_cell_length_b [9.7873]
_cell_length_c [10.3177]
_cell_angle_alpha [85.8281]
_cell_angle_beta [81.4009]
_cell_angle_gamma [88.7926]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgH32(N2O)4]
_chemical_formula_sum '[Mg1 H32 N8 O4]'
_cell_volume [471.5160]
_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
[
  Mg  Mg0  1  0.1730  0.9620  0.9014  1
  H  H1  1  0.0659  0.6071  0.6228  1
  H  H2  1  0.0725  0.9541  0.2754  1
  H  H3  1  0.0774  0.3635  0.4345  1
  H  H4  1  0.1246  0.5183  0.1878  1
  H  H5  1  0.1409  0.1774  0.1230  1
  H  H6  1  0.1438  0.8508  0.6228  1
  H  H7  1  0.2092  0.2369  0.5216  1
  H  H8  1  0.2152  0.3183  0.0305  1
  H  H9  1  0.2436  0.3966  0.5585  1
  H  H10  1  0.2528  0.0064  0.6324  1
  H  H11  1  0.2921  0.6661  0.1673  1
  H  H12  1  0.3059  0.9260  0.1526  1
  H  H13  1  0.3778  0.5487  0.0577  1
  H  H14  1  0.3899  0.6465  0.5682  1
  H  H15  1  0.4993  0.7607  0.3719  1
  H  H16  1  0.5133  0.5202  0.7905  1
  H  H17  1  0.5572  0.3780  0.3653  1
  H  H18  1  0.5735  0.4738  0.2371  1
  H  H19  1  0.5770  0.0046  0.3281  1
  H  H20  1  0.6514  0.3737  0.8418  1
  H  H21  1  0.6546  0.8418  0.9665  1
  H  H22  1  0.6705  0.0845  0.9000  1
  H  H23  1  0.6806  0.6149  0.3816  1
  H  H24  1  0.7456  0.1513  0.3161  1
  H  H25  1  0.7921  0.7544  0.4395  1
  H  H26  1  0.7949  0.0362  0.4356  1
  H  H27  1  0.8264  0.5145  0.8424  1
  H  H28  1  0.8280  0.8185  0.0948  1
  H  H29  1  0.8785  0.7082  0.9808  1
  H  H30  1  0.9059  0.1802  0.9576  1
  H  H31  1  0.9106  0.9716  0.6721  1
  H  H32  1  0.9237  0.3112  0.1427  1
  N  N33  1  0.0497  0.2570  0.0733  1
  N  N34  1  0.0893  0.9520  0.6064  1
  N  N35  1  0.2465  0.3348  0.4822  1
  N  N36  1  0.3182  0.5634  0.1558  1
  N  N37  1  0.6143  0.7001  0.4312  1
  N  N38  1  0.6249  0.4749  0.8605  1
  N  N39  1  0.7669  0.0484  0.3388  1
  N  N40  1  0.8500  0.8103  0.9951  1
  O  O41  1  0.2484  0.8963  0.2465  1
  O  O42  1  0.2528  0.6125  0.6503  1
  O  O43  1  0.7031  0.4193  0.2924  1
  O  O44  1  0.8732  0.1186  0.8843  1
]