data_UBrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UBrN
_chemical_formula_sum   'U2 Br2 N2'
_cell_volume   124.1
_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
  U  U4  1  0.0  0.92  0.16  1.0
  U  U5  1  0.92  0.0  0.25  1.0
  Br  Br0  1  0.92  0.0  0.86  1.0
  Br  Br1  1  0.0  0.92  0.54  1.0
  N  N2  1  0.0  0.0  0.0  1.0
  N  N3  1  0.92  0.92  0.0  1.0

data_UBrN
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   UBrN
_chemical_formula_sum   'U4 Br4 N4'
_cell_volume   248.2
_cell_formula_units_Z   4
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
  U  U0  2  0.0  0.0  0.16  1.0
  U  U1  2  0.42  0.5  0.25  1.0
  Br  Br2  2  0.0  0.0  0.54  1.0
  Br  Br3  2  0.42  0.5  0.86  1.0
  N  N4  4  0.46  0.46  0.0  1.0

U U Br Br N N
U U Br Br N N 0 1 - + o 1 3 + - o 2 5 o - + 2 4 + o + 2 3 + - o 4 5 - - o 