data_Sm4B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   92.6
_cell_angle_beta   92.6
_cell_angle_gamma   155.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4B5
_chemical_formula_sum   'Sm4 B5'
_cell_volume   170.8
_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
  Sm  Sm5  1  0.0  0.78  0.0  1.0
  Sm  Sm6  1  0.0  0.56  0.0  1.0
  Sm  Sm7  1  0.56  0.0  0.0  1.0
  Sm  Sm8  1  0.78  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.56  0.44  0.6  1.0
  B  B2  1  0.44  0.56  0.6  1.0
  B  B3  1  0.73  0.73  0.0  1.0
  B  B4  1  0.44  0.44  0.6  1.0

data_Sm4B5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.19
_cell_length_b   14.63
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   102.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sm4B5
_chemical_formula_sum   'Sm8 B10'
_cell_volume   341.61
_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
  Sm  Sm0  4  0.11  0.11  -0.0  1.0
  Sm  Sm1  4  0.22  0.22  -0.0  1.0
  B  B2  4  0.1  0.06  0.6  1.0
  B  B3  2  0.0  0.0  0.0  1.0
  B  B4  2  0.15  0.0  0.6  1.0
  B  B5  2  0.27  0.0  -0.0  1.0

Sm Sm Sm Sm B B B B B