data_AlWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   6.8
_cell_angle_alpha   110.95
_cell_angle_beta   110.95
_cell_angle_gamma   35.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlWSe2
_chemical_formula_sum   'Al1 W1 Se2'
_cell_volume   96.3
_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
  Al  Al0  1  0.63  0.0  0.21  1.0
  W  W3  1  0.94  0.0  0.46  1.0
  Se  Se1  1  0.98  0.0  0.69  1.0
  Se  Se2  1  0.19  0.0  0.09  1.0

data_AlWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.11
_cell_length_c   6.8
_cell_angle_alpha   110.95
_cell_angle_beta   90.0
_cell_angle_gamma   107.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlWSe2
_chemical_formula_sum   'Al1 W1 Se2'
_cell_volume   96.3
_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
  Al  Al0  1  0.0  0.37  0.79  1.0
  W  W1  1  0.0  0.06  0.54  1.0
  Se  Se2  1  0.0  0.02  0.31  1.0
  Se  Se3  1  0.0  0.81  0.91  1.0

Al W Se Se