data_[W3Au1Se5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5972]
_cell_length_b [5.5972]
_cell_length_c [7.4690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [W3AuSe5]
_chemical_formula_sum '[W3 Au1 Se5]'
_cell_volume [202.6469]
_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  3  0.0000  0.5000  0.5000  1
  Au  Au1  1  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.3333  0.6667  0.2290  1
  Se  Se3  1  0.0000  0.0000  0.5000  1
]