data_W3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3Se4
_chemical_formula_sum   'W3 Se4'
_cell_volume   129.91
_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
  W  W4  1  0.39  0.4  0.44  1.0
  W  W5  1  0.77  0.0  0.44  1.0
  W  W6  1  0.61  0.4  0.44  1.0
  Se  Se0  1  0.0  0.0  0.63  1.0
  Se  Se1  1  0.0  0.0  0.25  1.0
  Se  Se2  1  0.0  0.2  0.0  1.0
  Se  Se3  1  0.77  0.6  0.0  1.0

data_W3Se4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3Se4
_chemical_formula_sum   'W3 Se4'
_cell_volume   129.91
_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
  W  W0  1  0.44  0.39  0.4  1.0
  W  W1  1  0.44  0.61  0.4  1.0
  W  W2  1  0.44  0.77  0.0  1.0
  Se  Se3  1  -0.0  -0.0  0.2  1.0
  Se  Se4  1  -0.0  0.77  0.6  1.0
  Se  Se5  1  0.25  0.0  0.0  1.0
  Se  Se6  1  0.63  0.0  0.0  1.0

W W W Se Se Se Se