data_[W10Se16]
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 [C2/m]
_cell_length_a [11.8805]
_cell_length_b [7.0669]
_cell_length_c [8.6165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [W5Se8]
_chemical_formula_sum '[W10 Se16]'
_cell_volume [532.9784]
_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
[
  W  W0  4  0.0000  0.2887  0.5000  1
  W  W1  4  0.2135  0.5000  0.5027  1
  W  W2  2  0.0000  0.0000  0.0000  1
  Se  Se3  8  0.0441  0.2413  0.2505  1
  Se  Se4  4  0.1910  0.0000  0.6991  1
  Se  Se5  4  0.2142  0.5000  0.8027  1
]