data_[Al4W2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0143]
_cell_length_b [2.9853]
_cell_length_c [4.8005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2WSe]
_chemical_formula_sum '[Al4 W2 Se2]'
_cell_volume [139.4821]
_cell_formula_units_Z [2]
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  2  0.2524  0.5000  0.2784  1
  Al  Al1  2  0.4711  0.5000  0.9296  1
  W  W2  2  0.2322  0.0000  0.7944  1
  Se  Se3  2  0.0442  0.5000  0.4975  1
]