data_SnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   150.05
_cell_angle_beta   150.05
_cell_angle_gamma   42.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnSe3
_chemical_formula_sum   'Sn1 Se3'
_cell_volume   107.75
_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  Sn3  1  0.0  0.0  0.04  1.0
  Se  Se0  1  0.0  0.96  0.52  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.96  0.0  0.52  1.0

data_SnSe3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   111.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnSe3
_chemical_formula_sum   'Sn2 Se6'
_cell_volume   215.5
_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  0.04  0.0  0.04  1.0
  Se  Se1  4  0.04  0.48  0.57  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Sn Se Se Se