data_Na3SmBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   8.04
_cell_length_c   31.1
_cell_angle_alpha   85.38
_cell_angle_beta   89.96
_cell_angle_gamma   62.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3SmBr6
_chemical_formula_sum   'Na15 Sm5 Br30'
_cell_volume   1655.04
_cell_formula_units_Z   5
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  0.76  0.13  0.9  1.0
  Na  Na1  1  0.5  0.41  0.12  1.0
  Na  Na2  1  0.52  0.11  0.1  1.0
  Na  Na3  1  0.75  0.4  0.32  1.0
  Na  Na4  1  0.76  0.71  0.99  1.0
  Na  Na5  1  0.77  0.09  0.29  1.0
  Na  Na6  1  0.52  0.39  0.51  1.0
  Na  Na7  1  0.52  0.7  0.19  1.0
  Na  Na8  1  0.51  0.08  0.49  1.0
  Na  Na9  1  0.49  0.2  0.03  1.0
  Na  Na10  1  0.51  0.25  0.68  1.0
  Na  Na11  1  0.53  0.57  0.38  1.0
  Na  Na12  1  0.81  0.4  0.98  1.0
  Na  Na13  1  0.8  0.55  0.55  1.0
  Na  Na14  1  0.5  0.54  0.85  1.0
  Sm  Sm15  1  0.8  0.83  0.97  1.0
  Sm  Sm16  1  0.77  0.88  0.6  1.0
  Sm  Sm17  1  0.76  0.91  0.21  1.0
  Sm  Sm18  1  0.52  0.9  0.41  1.0
  Sm  Sm19  1  0.51  0.97  0.84  1.0
  Br  Br20  1  0.54  0.91  0.57  1.0
  Br  Br21  1  0.83  0.69  0.68  1.0
  Br  Br22  1  0.16  0.24  0.39  1.0
  Br  Br23  1  0.57  0.06  0.85  1.0
  Br  Br24  1  0.01  0.62  0.6  1.0
  Br  Br25  1  0.04  0.79  0.77  1.0
  Br  Br26  1  0.47  0.23  0.37  1.0
  Br  Br27  1  0.08  0.67  0.89  1.0
  Br  Br28  1  0.17  0.1  0.59  1.0
  Br  Br29  1  0.33  0.05  0.05  1.0
  Br  Br30  1  0.77  0.61  0.79  1.0
  Br  Br31  1  0.8  0.77  0.96  1.0
  Br  Br32  1  0.7  0.25  0.56  1.0
  Br  Br33  1  0.08  0.54  0.09  1.0
  Br  Br34  1  0.42  0.09  0.78  1.0
  Br  Br35  1  0.09  0.03  0.24  1.0
  Br  Br36  1  0.01  0.6  0.98  1.0
  Br  Br37  1  0.54  0.73  0.26  1.0
  Br  Br38  1  0.46  0.23  0.75  1.0
  Br  Br39  1  0.84  0.53  0.29  1.0
  Br  Br40  1  0.18  0.08  0.97  1.0
  Br  Br41  1  0.33  0.03  0.42  1.0
  Br  Br42  1  0.05  0.46  0.13  1.0
  Br  Br43  1  0.85  0.71  0.43  1.0
  Br  Br44  1  0.21  0.21  0.95  1.0
  Br  Br45  1  0.26  0.31  0.41  1.0
  Br  Br46  1  0.78  0.83  0.12  1.0
  Br  Br47  1  0.29  0.89  0.63  1.0
  Br  Br48  1  0.26  0.47  0.36  1.0
  Br  Br49  1  0.74  0.17  0.15  1.0

data_Na3SmBr6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.51
_cell_length_b   8.04
_cell_length_c   31.1
_cell_angle_alpha   85.38
_cell_angle_beta   89.96
_cell_angle_gamma   62.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3SmBr6
_chemical_formula_sum   'Na15 Sm5 Br30'
_cell_volume   1655.04
_cell_formula_units_Z   5
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  0.49  0.2  0.03  1.0
  Na  Na1  1  0.5  0.54  0.85  1.0
  Na  Na2  1  0.5  0.41  0.12  1.0
  Na  Na3  1  0.51  0.25  0.68  1.0
  Na  Na4  1  0.51  0.08  0.49  1.0
  Na  Na5  1  0.52  0.39  0.51  1.0
  Na  Na6  1  0.52  0.11  0.1  1.0
  Na  Na7  1  0.52  0.7  0.19  1.0
  Na  Na8  1  0.53  0.57  0.38  1.0
  Na  Na9  1  0.75  0.4  0.32  1.0
  Na  Na10  1  0.76  0.71  0.99  1.0
  Na  Na11  1  0.76  0.13  0.9  1.0
  Na  Na12  1  0.77  0.09  0.29  1.0
  Na  Na13  1  0.8  0.55  0.55  1.0
  Na  Na14  1  0.81  0.4  0.98  1.0
  Sm  Sm15  1  0.51  0.97  0.84  1.0
  Sm  Sm16  1  0.52  0.9  0.41  1.0
  Sm  Sm17  1  0.76  0.91  0.21  1.0
  Sm  Sm18  1  0.77  0.88  0.6  1.0
  Sm  Sm19  1  0.8  0.83  0.97  1.0
  Br  Br20  1  0.01  0.62  0.6  1.0
  Br  Br21  1  0.01  0.6  0.98  1.0
  Br  Br22  1  0.04  0.79  0.77  1.0
  Br  Br23  1  0.05  0.46  0.13  1.0
  Br  Br24  1  0.08  0.67  0.89  1.0
  Br  Br25  1  0.08  0.54  0.09  1.0
  Br  Br26  1  0.09  0.03  0.24  1.0
  Br  Br27  1  0.16  0.24  0.39  1.0
  Br  Br28  1  0.17  0.1  0.59  1.0
  Br  Br29  1  0.18  0.08  0.97  1.0
  Br  Br30  1  0.21  0.21  0.95  1.0
  Br  Br31  1  0.26  0.31  0.41  1.0
  Br  Br32  1  0.26  0.47  0.36  1.0
  Br  Br33  1  0.29  0.89  0.63  1.0
  Br  Br34  1  0.33  0.03  0.42  1.0
  Br  Br35  1  0.33  0.05  0.05  1.0
  Br  Br36  1  0.42  0.09  0.78  1.0
  Br  Br37  1  0.46  0.23  0.75  1.0
  Br  Br38  1  0.47  0.23  0.37  1.0
  Br  Br39  1  0.54  0.73  0.26  1.0
  Br  Br40  1  0.54  0.91  0.57  1.0
  Br  Br41  1  0.57  0.06  0.85  1.0
  Br  Br42  1  0.7  0.25  0.56  1.0
  Br  Br43  1  0.74  0.17  0.15  1.0
  Br  Br44  1  0.77  0.61  0.79  1.0
  Br  Br45  1  0.78  0.83  0.12  1.0
  Br  Br46  1  0.8  0.77  0.96  1.0
  Br  Br47  1  0.83  0.69  0.68  1.0
  Br  Br48  1  0.84  0.53  0.29  1.0
  Br  Br49  1  0.85  0.71  0.43  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Sm Sm Sm Sm Sm Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br