data_SmBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   9.13
_cell_length_c   28.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmBr3
_chemical_formula_sum   'Sm2 Br6'
_cell_volume   1038.68
_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
  Sm  Sm0  1  0.5  0.25  0.12  1.0
  Sm  Sm1  1  0.0  0.75  0.13  1.0
  Br  Br2  1  0.0  0.25  0.05  1.0
  Br  Br3  1  0.5  0.57  0.08  1.0
  Br  Br4  1  0.5  0.93  0.08  1.0
  Br  Br5  1  0.0  0.43  0.17  1.0
  Br  Br6  1  0.0  0.07  0.17  1.0
  Br  Br7  1  0.5  0.75  0.2  1.0

Sm Sm Br Br Br Br Br Br 0 6 o o o 0 6 + o o 0 2 o o o 0 2 + o o 0 5 o o o 0 5 + o o 0 4 o - o 0 3 o o o 1 3 - o o 1 3 o o o 1 4 - o o 1 4 o o o 1 7 - o o 1 7 o o o 1 5 o o o 1 6 o + o 2 3 o o o 2 3 - o o 2 4 o - o 2 4 - - o 3 5 o o o 3 5 + o o 3 4 o o o 4 6 o + o 4 6 + + o 5 7 - o o 5 7 o o o 5 6 o o o 6 7 - - o 6 7 o - o 
data_SmBr3
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   4.02
_cell_length_b   9.13
_cell_length_c   28.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   SmBr3
_chemical_formula_sum   'Sm2 Br6'
_cell_volume   1038.68
_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'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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
  Sm  Sm0  2  0.0  0.5  0.0  1.0
  Br  Br1  4  0.0  0.18  0.05  1.0
  Br  Br2  2  0.0  0.0  0.92  1.0
