data_UBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   25.19
_cell_angle_alpha   87.42
_cell_angle_beta   87.42
_cell_angle_gamma   77.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UBr4
_chemical_formula_sum   'U2 Br8'
_cell_volume   1224.13
_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  U8  1  0.8  0.8  0.09  1.0
  U  U9  1  0.2  0.2  0.12  1.0
  Br  Br0  1  0.17  0.56  0.06  1.0
  Br  Br1  1  0.95  0.95  0.17  1.0
  Br  Br2  1  0.05  0.05  0.03  1.0
  Br  Br3  1  0.67  0.67  0.0  1.0
  Br  Br4  1  0.56  0.17  0.06  1.0
  Br  Br5  1  0.44  0.83  0.15  1.0
  Br  Br6  1  0.83  0.44  0.15  1.0
  Br  Br7  1  0.33  0.33  0.21  1.0

U U Br Br Br Br Br Br Br Br 0 5 o o o 0 8 o o o 0 6 o + o 0 7 o o o 0 2 + o o 0 4 + + o 0 3 o o o 1 4 o o o 1 3 - - o 1 8 - o o 1 6 o o o 1 7 o - o 1 2 o o o 1 9 o o o 2 8 - o o 2 4 o + o 2 6 o o o 3 8 o + o 3 7 + o o 4 6 - o o 6 7 o - o 7 8 o o o 
data_UBr4
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   11.01
_cell_length_b   8.84
_cell_length_c   25.19
_cell_angle_alpha   90.0
_cell_angle_beta   93.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   UBr4
_chemical_formula_sum   'U4 Br16'
_cell_volume   2448.26
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.2  0.0  0.48  1.0
  Br  Br1  8  0.14  0.31  0.45  1.0
  Br  Br2  4  0.05  0.0  0.57  1.0
  Br  Br3  4  0.17  0.5  0.6  1.0

U U Br Br Br Br Br Br Br Br