data_SnSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSe5
_chemical_formula_sum   'Sn1 Se5'
_cell_volume   132.62
_cell_formula_units_Z   1
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  Sn5  1  0.78  0.78  0.26  1.0
  Se  Se0  1  0.0  0.0  0.55  1.0
  Se  Se1  1  0.0  0.0  0.98  1.0
  Se  Se2  1  0.78  0.78  0.49  1.0
  Se  Se3  1  0.78  0.78  0.03  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0

data_SnSe5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnSe5
_chemical_formula_sum   'Sn2 Se10'
_cell_volume   265.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Sn0  2  0.28  0.5  0.26  1.0
  Se  Se1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.55  1.0
  Se  Se3  2  0.0  0.0  0.98  1.0
  Se  Se4  2  0.28  0.5  0.03  1.0
  Se  Se5  2  0.28  0.5  0.49  1.0

Sn Se Se Se Se Se
Sn Se Se Se Se Se 0 4 o o o 0 3 o o o 1 3 - - o 2 5 o o + 2 4 - - + 4 5 + + o 