data_WSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53
_cell_length_b   7.16
_cell_length_c   2.84
_cell_angle_alpha   86.31
_cell_angle_beta   71.57
_cell_angle_gamma   22.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WSe2
_chemical_formula_sum   'W1 Se2'
_cell_volume   42.04
_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
  W  W2  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.14  0.6  0.78  1.0
  Se  Se1  1  0.14  0.6  0.35  1.0

data_WSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.29
_cell_length_b   2.84
_cell_length_c   7.16
_cell_angle_alpha   86.31
_cell_angle_beta   80.8
_cell_angle_gamma   66.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WSe2
_chemical_formula_sum   'W1 Se2'
_cell_volume   42.04
_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
  W  W0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.86  0.5  0.74  1.0
  Se  Se2  1  0.86  0.92  0.74  1.0

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