data_[Si4W2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8939]
_cell_length_b [5.0964]
_cell_length_c [5.9959]
_cell_angle_alpha [80.6975]
_cell_angle_beta [80.3602]
_cell_angle_gamma [73.0254]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Si2WSe]
_chemical_formula_sum '[Si4 W2 Se2]'
_cell_volume [139.9992]
_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
[
  Si  Si0  2  0.1798  0.3009  0.1179  1
  Si  Si1  2  0.4243  0.4542  0.6938  1
  W  W2  2  0.2743  0.7887  0.9832  1
  Se  Se3  2  0.1185  0.1747  0.6495  1
]