data_Sn(P3Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43
_cell_length_b   9.43
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn(P3Se)2
_chemical_formula_sum   'Sn4 P24 Se8'
_cell_volume   838.01
_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
  Sn  Sn32  1  0.0  0.0  0.0  1.0
  Sn  Sn33  1  0.71  0.0  0.71  1.0
  Sn  Sn34  1  0.0  0.71  0.71  1.0
  Sn  Sn35  1  0.71  0.71  0.0  1.0
  P  P0  1  0.91  0.45  0.46  1.0
  P  P1  1  0.8  0.97  0.17  1.0
  P  P2  1  0.52  0.17  0.25  1.0
  P  P3  1  0.62  0.26  0.97  1.0
  P  P4  1  0.46  0.91  0.45  1.0
  P  P5  1  0.17  0.8  0.97  1.0
  P  P6  1  0.25  0.52  0.17  1.0
  P  P7  1  0.97  0.62  0.26  1.0
  P  P8  1  0.45  0.46  0.91  1.0
  P  P9  1  0.97  0.17  0.8  1.0
  P  P10  1  0.17  0.25  0.52  1.0
  P  P11  1  0.26  0.97  0.62  1.0
  P  P12  1  0.52  0.97  0.97  1.0
  P  P13  1  0.62  0.45  0.25  1.0
  P  P14  1  0.91  0.26  0.17  1.0
  P  P15  1  0.8  0.17  0.46  1.0
  P  P16  1  0.97  0.52  0.97  1.0
  P  P17  1  0.25  0.62  0.45  1.0
  P  P18  1  0.17  0.91  0.26  1.0
  P  P19  1  0.46  0.8  0.17  1.0
  P  P20  1  0.97  0.97  0.52  1.0
  P  P21  1  0.45  0.25  0.62  1.0
  P  P22  1  0.26  0.17  0.91  1.0
  P  P23  1  0.17  0.46  0.8  1.0
  Se  Se24  1  0.57  0.57  0.57  1.0
  Se  Se25  1  0.15  0.86  0.28  1.0
  Se  Se26  1  0.86  0.28  0.15  1.0
  Se  Se27  1  0.28  0.15  0.86  1.0
  Se  Se28  1  0.86  0.86  0.86  1.0
  Se  Se29  1  0.28  0.57  0.15  1.0
  Se  Se30  1  0.57  0.15  0.28  1.0
  Se  Se31  1  0.15  0.28  0.57  1.0

data_Sn(P3Se)2
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.33
_cell_length_b   13.33
_cell_length_c   16.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Sn(P3Se)2
_chemical_formula_sum   'Sn12 P72 Se24'
_cell_volume   2514.03
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Sn  Sn0  9  0.19  0.1  0.81  1.0
  Sn  Sn1  3  0.0  0.0  0.0  1.0
  P  P2  9  0.01  0.65  0.62  1.0
  P  P3  9  0.01  0.82  0.44  1.0
  P  P4  9  0.02  0.34  0.14  1.0
  P  P5  9  0.03  0.52  0.49  1.0
  P  P6  9  0.06  0.85  0.12  1.0
  P  P7  9  0.15  0.48  0.65  1.0
  P  P8  9  0.18  0.36  0.27  1.0
  P  P9  9  0.19  0.46  0.98  1.0
  Se  Se10  9  0.05  0.81  0.1  1.0
  Se  Se11  9  0.15  0.43  1.0  1.0
  Se  Se12  3  0.0  0.0  0.57  1.0
  Se  Se13  3  0.0  0.0  0.86  1.0

Sn Sn Sn Sn P P P P P P P P P P P P P P P P P P P P P P P P Se Se Se Se Se Se Se Se