data_[W8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [18.9917]
_cell_length_b [15.3625]
_cell_length_c [6.3100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [WSe2]
_chemical_formula_sum '[W8 Se16]'
_cell_volume [1841.0100]
_cell_formula_units_Z [8]
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  2  0.4444  0.1900  0.7860  1
  W  W1  2  0.4980  0.3005  0.1152  1
  W  W2  2  0.5098  0.3141  0.6185  1
  W  W3  2  0.5162  0.1465  0.3732  1
  Se  Se4  2  0.3978  0.3431  0.8420  1
  Se  Se5  2  0.4023  0.1843  0.1716  1
  Se  Se6  2  0.4254  0.0600  0.5865  1
  Se  Se7  2  0.4470  0.4095  0.3517  1
  Se  Se8  2  0.5512  0.1393  0.9778  1
  Se  Se9  2  0.5946  0.3632  0.8817  1
  Se  Se10  2  0.6050  0.2749  0.3703  1
  Se  Se11  2  0.6078  0.0464  0.4227  1
]