data_NbWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbWSe2
_chemical_formula_sum   'Nb1 W1 Se2'
_cell_volume   72.72
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.16  1.0
  Se  Se1  1  0.55  0.0  0.12  1.0
  Se  Se2  1  0.55  0.0  0.2  1.0

data_NbWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.22
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbWSe2
_chemical_formula_sum   'Nb1 W1 Se2'
_cell_volume   72.72
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.16  1.0
  Se  Se2  1  0.0  0.55  0.12  1.0
  Se  Se3  1  0.0  0.55  0.2  1.0

Nb W Se Se
Nb W Se Se 0 1 o o o 1 2 - o o 1 3 - o o 2 3 o o o 