data_Na2SnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   16.54
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   112.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SnSe3
_chemical_formula_sum   'Na8 Sn4 Se12'
_cell_volume   701.32
_cell_formula_units_Z   4
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  0.95  0.43  0.87  1.0
  Na  Na1  1  0.8  0.52  0.95  1.0
  Na  Na2  1  0.74  0.84  0.75  1.0
  Na  Na3  1  0.99  0.11  0.9  1.0
  Na  Na4  1  0.93  0.79  0.7  1.0
  Na  Na5  1  0.2  0.69  0.02  1.0
  Na  Na6  1  0.14  0.02  0.82  1.0
  Na  Na7  1  0.0  0.75  0.07  1.0
  Sn  Sn8  1  0.22  0.01  0.01  1.0
  Sn  Sn9  1  0.43  0.79  0.13  1.0
  Sn  Sn10  1  0.72  0.52  0.76  1.0
  Sn  Sn11  1  0.51  0.74  0.64  1.0
  Se  Se12  1  0.87  0.15  0.67  1.0
  Se  Se13  1  0.66  0.66  0.56  1.0
  Se  Se14  1  0.28  0.88  0.21  1.0
  Se  Se15  1  0.67  0.37  0.86  1.0
  Se  Se16  1  0.4  0.52  0.34  1.0
  Se  Se17  1  0.61  0.29  0.45  1.0
  Se  Se18  1  0.46  0.89  0.74  1.0
  Se  Se19  1  0.27  0.16  0.91  1.0
  Se  Se20  1  0.33  0.25  0.32  1.0
  Se  Se21  1  0.07  0.39  0.09  1.0
  Se  Se22  1  0.47  0.64  0.02  1.0
  Se  Se23  1  0.54  0.02  0.43  1.0

data_Na2SnSe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.25
_cell_length_b   7.35
_cell_length_c   16.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.72
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2SnSe3
_chemical_formula_sum   'Na8 Sn4 Se12'
_cell_volume   701.32
_cell_formula_units_Z   4
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  0.32  0.46  0.52  1.0
  Na  Na1  2  0.37  0.27  0.57  1.0
  Na  Na2  2  0.43  0.67  0.75  1.0
  Na  Na3  2  0.48  0.48  0.16  1.0
  Sn  Sn4  2  0.26  0.04  0.48  1.0
  Sn  Sn5  2  0.37  0.25  0.26  1.0
  Se  Se6  2  0.05  0.07  0.75  1.0
  Se  Se7  2  0.07  0.14  0.02  1.0
  Se  Se8  2  0.17  0.19  0.39  1.0
  Se  Se9  2  0.29  0.4  0.88  1.0
  Se  Se10  2  0.36  0.99  0.63  1.0
  Se  Se11  2  0.48  0.2  0.11  1.0

Na Na Na Na Na Na Na Na Sn Sn Sn Sn Se Se Se Se Se Se Se Se Se Se Se Se