data_W2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   131.93
_cell_angle_beta   131.93
_cell_angle_gamma   70.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W2AuSe
_chemical_formula_sum   'W2 Au1 Se1'
_cell_volume   67.58
_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  W2  1  0.03  0.0  0.04  1.0
  W  W3  1  0.0  0.0  0.08  1.0
  Au  Au0  1  0.0  0.03  0.04  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_W2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.99
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W2AuSe
_chemical_formula_sum   'W2 Au1 Se1'
_cell_volume   67.58
_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  0.04  0.01  0.01  1.0
  W  W1  1  0.08  0.08  0.08  1.0
  Au  Au2  1  0.01  0.04  0.01  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

W W Au Se