data_SmBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmBi3
_chemical_formula_sum   'Sm2 Bi6'
_cell_volume   248.66
_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  0.97  0.52  1.0
  Sm  Sm1  1  0.44  0.98  0.56  1.0
  Bi  Bi2  1  0.0  0.06  0.56  1.0
  Bi  Bi3  1  0.34  0.93  0.56  1.0
  Bi  Bi4  1  0.66  0.93  0.56  1.0
  Bi  Bi5  1  0.44  0.9  0.52  1.0
  Bi  Bi6  1  0.1  0.03  0.52  1.0
  Bi  Bi7  1  0.78  0.03  0.52  1.0

data_SmBi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.07
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SmBi3
_chemical_formula_sum   'Sm2 Bi6'
_cell_volume   248.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.48  0.78  0.49  1.0
  Bi  Bi1  2  0.48  0.22  0.42  1.0
  Bi  Bi2  2  0.48  0.56  0.55  1.0
  Bi  Bi3  2  0.48  0.88  0.55  1.0

Sm Sm Bi Bi Bi Bi Bi Bi
Sm Sm Bi Bi Bi Bi Bi Bi 0 2 o + o 0 6 o + o 1 3 o o o 1 5 o o o 4 7 o + o 