data_Sm2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2B
_chemical_formula_sum   'Sm2 B1'
_cell_volume   63.79
_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  Sm1  1  0.43  0.41  0.55  1.0
  Sm  Sm2  1  0.0  0.81  0.55  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Sm2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2B
_chemical_formula_sum   'Sm2 B1'
_cell_volume   63.79
_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  Sm0  1  0.55  0.0  0.81  1.0
  Sm  Sm1  1  0.55  0.43  0.41  1.0
  B  B2  1  0.0  0.0  0.0  1.0

Sm Sm B
Sm Sm B 0 2 o o o 0 2 o o + 0 1 o - o 0 1 + o o 1 2 o + o 1 2 o + + 