[CIF]
data_MgH4Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61971494
_cell_length_b   7.53884087
_cell_length_c   12.99698380
_cell_angle_alpha   90.26805416
_cell_angle_beta   90.59276393
_cell_angle_gamma   91.90007652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgH4Br3N
_chemical_formula_sum   'Mg4 H16 Br12 N4'
_cell_volume   648.21468410
_cell_formula_units_Z   4
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
  Br  Br0  1  1.56688597  3.59645631  1.43062591  1
  Br  Br1  1  5.57644090  2.99734106  10.75461180  1
  Br  Br2  1  4.87499029  6.58216436  4.38493534  1
  Br  Br3  1  2.00169562  7.21093292  8.09052772  1
  Br  Br4  1  4.87718810  5.56823338  0.84983839  1
  Br  Br5  1  2.26677446  0.98545750  11.50599051  1
  Br  Br6  1  1.57105646  4.58525701  4.96515311  1
  Br  Br7  1  5.57112327  1.69816904  7.32712611  1
  Br  Br8  1  1.55724312  7.13061673  2.31726710  1
  Br  Br9  1  5.31808595  6.90485241  10.18125578  1
  Br  Br10  1  4.87978152  3.03296505  3.47080689  1
  Br  Br11  1  2.27203850  3.31347334  8.65424175  1
  Mg  Mg12  1  3.22923670  5.08313475  2.91220167  1
  Mg  Mg13  1  3.92835694  1.34505615  9.42178789  1
  Mg  Mg14  1  -0.07261399  5.08420946  2.92314300  1
  Mg  Mg15  1  0.61246331  1.34842214  9.42351126  1
  N  N16  1  5.71142556  1.33662547  0.66963071  1
  N  N17  1  5.71248872  5.10196717  7.34282543  1
  N  N18  1  2.39251111  1.30943019  5.15546040  1
  N  N19  1  2.24959247  5.12284372  11.52511660  1
  H  H20  1  5.36442511  0.35520642  0.63386080  1
  H  H21  1  5.42019302  1.76104919  12.75899857  1
  H  H22  1  0.10518215  1.32038383  0.86003708  1
  H  H23  1  5.25470483  1.85540769  1.44918231  1
  H  H24  1  5.39882234  5.58493977  8.21116864  1
  H  H25  1  5.51863053  4.07847409  7.39070186  1
  H  H26  1  0.11125635  5.23345643  7.24654878  1
  H  H27  1  5.25900587  5.51849703  6.50257550  1
  H  H28  1  2.24342630  0.79802211  6.05179562  1
  H  H29  1  3.40197233  1.47755781  5.02412870  1
  H  H30  1  1.91732862  2.23472666  5.17140652  1
  H  H31  1  2.05602700  0.74376323  4.34519640  1
  H  H32  1  1.68553059  4.66090043  12.26528956  1
  H  H33  1  3.23426480  5.10316451  11.83904753  1
  H  H34  1  1.97247620  6.12162203  11.42044808  1
  H  H35  1  2.16122253  4.61117139  10.62090045  1
[/CIF]
