data_SnWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.79
_cell_angle_alpha   96.44
_cell_angle_beta   96.44
_cell_angle_gamma   44.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnWSe2
_chemical_formula_sum   'Sn1 W1 Se2'
_cell_volume   86.62
_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  Sn2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.53  0.0  0.37  1.0
  Se  Se0  1  0.16  0.0  0.63  1.0
  Se  Se1  1  0.91  0.0  0.11  1.0

data_SnWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.27
_cell_length_c   6.79
_cell_angle_alpha   96.44
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnWSe2
_chemical_formula_sum   'Sn1 W1 Se2'
_cell_volume   86.62
_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  Sn0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.47  0.63  1.0
  Se  Se2  1  0.0  0.09  0.89  1.0
  Se  Se3  1  0.0  0.84  0.37  1.0

Sn W Se Se
Sn W Se Se 0 3 - o o 0 1 o o o 0 2 o o - 1 3 - o o 1 3 o o o 1 2 o o o 1 2 + o o 