data_[W2Au1Se1]
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 [P2/m]
_cell_length_a [2.9235]
_cell_length_b [4.1873]
_cell_length_c [5.6577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [W2AuSe]
_chemical_formula_sum '[W2 Au1 Se1]'
_cell_volume [67.8747]
_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  2  0.0750  0.0000  0.2561  1
  Au  Au1  1  0.5000  0.5000  0.0000  1
  Se  Se2  1  0.0000  0.5000  0.5000  1
]