data_SnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62
_cell_length_b   10.62
_cell_length_c   10.62
_cell_angle_alpha   157.91
_cell_angle_beta   157.91
_cell_angle_gamma   31.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSe2
_chemical_formula_sum   'Sn2 Se4'
_cell_volume   169.42
_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
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.0  0.04  0.11  1.0
  Se  Se0  1  0.0  0.0  0.44  1.0
  Se  Se1  1  0.04  0.0  0.89  1.0
  Se  Se2  1  0.0  0.0  0.01  1.0
  Se  Se3  1  0.04  0.0  0.33  1.0

data_SnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   10.62
_cell_angle_alpha   101.05
_cell_angle_beta   101.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSe2
_chemical_formula_sum   'Sn2 Se4'
_cell_volume   169.42
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.92  0.04  0.92  1.0
  Se  Se2  1  0.11  0.0  0.14  1.0
  Se  Se3  1  0.56  0.0  0.56  1.0
  Se  Se4  1  0.67  0.0  0.7  1.0
  Se  Se5  1  0.99  0.0  0.99  1.0

Sn Sn Se Se Se Se