data_[Mg2H8Br6N2]
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
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [7.7649]
_cell_length_b [7.7649]
_cell_length_c [6.7172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [MgH4Br3N]
_chemical_formula_sum '[Mg2 H8 Br6 N2]'
_cell_volume [350.7430]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0421  1
  H  H1  6  0.2129  0.6784  0.8535  1
  H  H2  2  0.3333  0.6667  0.0561  1
  Br  Br3  6  0.0764  0.3023  0.2909  1
  N  N4  2  0.3333  0.6667  0.9027  1
]