data_SmNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNb3
_chemical_formula_sum   'Sm2 Nb6'
_cell_volume   177.82
_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  Sm6  1  0.0  0.66  0.27  1.0
  Sm  Sm7  1  0.17  0.83  0.82  1.0
  Nb  Nb0  1  0.0  0.6  0.82  1.0
  Nb  Nb1  1  0.79  0.7  0.82  1.0
  Nb  Nb2  1  0.21  0.7  0.82  1.0
  Nb  Nb3  1  0.17  0.9  0.27  1.0
  Nb  Nb4  1  0.38  0.8  0.27  1.0
  Nb  Nb5  1  0.96  0.8  0.27  1.0

data_SmNb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.1
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SmNb3
_chemical_formula_sum   'Sm2 Nb6'
_cell_volume   177.82
_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  0.23  0.91  0.42  1.0
  Nb  Nb1  2  0.23  0.09  0.65  1.0
  Nb  Nb2  2  0.23  0.3  0.55  1.0
  Nb  Nb3  2  0.23  0.88  0.55  1.0

Sm Sm Nb Nb Nb Nb Nb Nb