data_Mg(BH4)2(NH3)2_AB
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1

loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    9.4643
_cell_length_b                    9.4643
_cell_length_c                    5.5230
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
_diffrn_measured_fraction_theta_full 83
_diffrn_ambient_temperature 298
_diffrn_radiation_wavelength  0.8264
_diffrn_radiation_source          'PD Beamline Australian Synchrotron'
_diffrn_radiation_type            synchrotron
_cell_measurement_temperature 298
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
H1     H     0.33504   0.84560   0.56375   0.01267  Uiso   1.00
H2     H     0.32787   0.99499   0.30866   0.01267  Uiso   1.00
H3     H     0.22873   0.57088   0.82683   0.01267  Uiso   1.00
H4     H     0.07967   0.03948  -0.24308   0.01267  Uiso   1.00
H5     H     0.10481  -0.04243   0.21169   0.01267  Uiso   1.00
H6     H     0.68507   0.03035   0.31515   0.01267  Uiso   1.00
H7     H     0.76493   0.39659   0.79022   0.01267  Uiso   1.00
H8     H     0.26992   0.30316   0.37394   0.01267  Uiso   1.00
H9     H     0.12425   0.31268   0.10597   0.01267  Uiso   1.00
H10    H     0.38674   0.23412   0.80356   0.01267  Uiso   1.00
H11    H    -0.12389   0.07339  -0.16132   0.01267  Uiso   1.00
H12    H     0.04683   0.12316   0.20089   0.01267  Uiso   1.00
H13    H     0.83636   0.65157   0.56066   0.01267  Uiso   1.00
H14    H     0.75311   0.69282   0.23519   0.01267  Uiso   1.00
H15    H     0.64187   0.77665   0.72451   0.01267  Uiso   1.00
H16    H     0.58215   0.86058   0.96457   0.01267  Uiso   1.00
H17    H    -0.04662  -0.12377  -0.15672   0.01267  Uiso   1.00
H18    H    -0.06402  -0.00674   0.27265   0.01267  Uiso   1.00
H19    H     0.84099   0.50435   0.29964   0.01267  Uiso   1.00
H20    H     0.72749   0.91739   0.82586   0.01267  Uiso   1.00
H21    H     0.58544   0.46497  -0.22175   0.01267  Uiso   1.00
H22    H     0.15959   0.47924   0.31488   0.01267  Uiso   1.00
H23    H     0.26530   0.10914   0.77459   0.01267  Uiso   1.00
H24    H     0.38505   0.09800   0.99040   0.01267  Uiso   1.00
H25    H     0.38168   0.42465  -0.15122   0.01267  Uiso   1.00
H26    H     0.43084   0.50639   0.28584   0.01267  Uiso   1.00
H27    H     0.53155   0.17421   0.28365   0.01267  Uiso   1.00
H28    H     0.88211   0.26642   0.80061   0.01267  Uiso   1.00
H29    H     0.89351   0.40005   0.99188   0.01267  Uiso   1.00
H30    H     0.54741   0.38080   0.22326   0.01267  Uiso   1.00
H31    H     0.26755   0.79672   0.22873   0.01267  Uiso   1.00
H32    H     0.15442   0.71389   0.71222   0.01267  Uiso   1.00
H33    H     0.08618   0.63996   0.95584   0.01267  Uiso   1.00
H34    H     0.45285   0.62391  -0.14185   0.01267  Uiso   1.00
H35    H     0.59949   0.54860   0.23263   0.01267  Uiso   1.00
Mg36   Mg    0.50232   0.00830   0.56728   0.01267  Uiso   1.00
Mg37   Mg   -0.00158   0.49271   0.56553   0.01267  Uiso   1.00
B38    B     0.34912   0.86787   0.34551   0.01267  Uiso   1.00
N39    N     0.13175   0.61732   0.79026   0.01267  Uiso   1.00
B40    B     0.65303   0.15419   0.35813   0.01267  Uiso   1.00
N41    N     0.87148   0.37520   0.81377   0.01267  Uiso   1.00
B42    B     0.15569   0.34845   0.31109   0.01267  Uiso   1.00
N43    N     0.37149   0.12568   0.81084   0.01267  Uiso   1.00
B44    B     0.84802   0.63315   0.34068   0.01267  Uiso   1.00
N45    N     0.62735   0.87629   0.79641   0.01267  Uiso   1.00
B46    B    -0.02018   0.00026  -0.12004   0.01267  Uiso   1.00
N47    N     0.01940   0.01944   0.16055   0.01267  Uiso   1.00
B48    B     0.48231   0.50079  -0.10374   0.01267  Uiso   1.00
N49    N     0.51732   0.48314   0.17879   0.01267  Uiso   1.00
H50    H     0.06609   0.30065   0.45304   0.00000  Uiso   1.00
H51    H     0.47195   0.83980   0.28735   0.00000  Uiso   1.00
H52    H     0.96375   0.67712   0.27433   0.00000  Uiso   1.00
H53    H     0.65390   0.17374   0.57856   0.00000  Uiso   1.00
H54    H     0.73536   0.23389   0.26208   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
H1     B38     1.231   .     S
H2     B38     1.237   .     S
H3     N39     1.038   .     S
H4     B46     1.222   .     S
H5     N47     1.037   .     S
H6     B40     1.234   .     S
H7     N41     1.037   .     S
H8     B42     1.214   .     S
H9     B42     1.219   .     S
H10    N43     1.037   .     S
H11    B46     1.222   .     S
H12    N47     1.040   .     S
H13    B44     1.232   .     S
H14    B44     1.210   .     S
H15    N45     1.032   .     S
H16    N45     1.033   .     S
H17    B46     1.217   .     S
H18    N47     1.033   .     S
H19    B44     1.242   .     S
H20    N45     1.037   .     S
H21    B48     1.222   .     S
H22    B42     1.239   .     S
H23    N43     1.037   .     S
H24    N43     1.034   .     S
H25    B48     1.223   .     S
H26    N49     1.033   .     S
H27    B40     1.236   .     S
H28    N41     1.037   .     S
H29    N41     1.033   .     S
H30    N49     1.039   .     S
H31    B38     1.211   .     S
H32    N39     1.033   .     S
H33    N39     1.034   .     S
H34    B48     1.217   .     S
H35    N49     1.038   .     S
B38    H51     1.235   .     S
B40    H54     1.207   .     S
B40    H53     1.231   .     S
B42    H50     1.240   .     S
B44    H52     1.228   .     S
B46    N47     1.605   .     S
B48    N49     1.604   .     S
