data_BrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   152.92
_cell_angle_beta   152.92
_cell_angle_gamma   38.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrN3
_chemical_formula_sum   'Br1 N3'
_cell_volume   45.18
_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
  Br  Br0  1  0.0  0.0  0.68  1.0
  N  N1  1  0.41  0.0  0.84  1.0
  N  N2  1  0.0  0.41  0.84  1.0
  N  N3  1  0.0  0.0  0.0  1.0

data_BrN3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   109.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BrN3
_chemical_formula_sum   'Br2 N6'
_cell_volume   90.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.32  1.0
  N  N1  4  0.2  0.2  0.57  1.0
  N  N2  2  0.0  0.0  0.0  1.0

Br N N N