data_Na3Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Sm
_chemical_formula_sum   'Na6 Sm2'
_cell_volume   235.02
_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
  Na  Na0  1  0.0  0.95  0.17  1.0
  Na  Na1  1  0.8  0.07  0.17  1.0
  Na  Na2  1  0.2  0.07  0.17  1.0
  Na  Na3  1  0.49  0.1  0.39  1.0
  Na  Na4  1  0.69  0.97  0.39  1.0
  Na  Na5  1  0.3  0.97  0.39  1.0
  Sm  Sm6  1  0.0  0.03  0.39  1.0
  Sm  Sm7  1  0.49  0.02  0.17  1.0

data_Na3Sm
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.57
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na3Sm
_chemical_formula_sum   'Na6 Sm2'
_cell_volume   235.02
_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
  Na  Na0  2  0.11  0.05  0.95  1.0
  Na  Na1  2  0.11  0.25  0.08  1.0
  Na  Na2  2  0.11  0.44  0.95  1.0
  Sm  Sm3  2  0.11  0.75  0.01  1.0

Na Na Na Na Na Na Sm Sm