data_Sm3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   6.65
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3B
_chemical_formula_sum   'Sm6 B2'
_cell_volume   218.3
_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  Sm2  1  0.88  0.0  0.09  1.0
  Sm  Sm3  1  0.0  0.33  0.63  1.0
  Sm  Sm4  1  0.0  0.88  0.55  1.0
  Sm  Sm5  1  0.0  0.77  0.55  1.0
  Sm  Sm6  1  0.88  0.55  0.17  1.0
  Sm  Sm7  1  0.88  0.1  0.17  1.0
  B  B0  1  0.0  0.0  0.03  1.0
  B  B1  1  0.88  0.33  0.69  1.0

data_Sm3B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   6.65
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3B
_chemical_formula_sum   'Sm6 B2'
_cell_volume   218.3
_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  0.0  0.77  0.55  1.0
  Sm  Sm1  1  0.0  0.33  0.63  1.0
  Sm  Sm2  1  0.0  0.88  0.55  1.0
  Sm  Sm3  1  0.88  0.0  0.09  1.0
  Sm  Sm4  1  0.88  0.1  0.17  1.0
  Sm  Sm5  1  0.88  0.55  0.17  1.0
  B  B6  1  0.0  0.0  0.03  1.0
  B  B7  1  0.88  0.33  0.69  1.0

Sm Sm Sm Sm Sm Sm B B