data_AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.14
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AuSe
_chemical_formula_sum   'Au2 Se2'
_cell_volume   86.76
_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
  Au  Au0  1  0.0  0.0  0.53  1.0
  Au  Au1  1  0.43  0.07  0.77  1.0
  Se  Se2  1  0.0  0.0  0.45  1.0
  Se  Se3  1  0.43  0.07  0.85  1.0

data_AuSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.87
_cell_length_b   4.14
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AuSe
_chemical_formula_sum   'Au2 Se2'
_cell_volume   86.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Au  Au0  2  0.22  0.04  0.62  1.0
  Se  Se1  2  0.22  0.04  0.7  1.0

Au Au Se Se
Au Au Se Se 0 2 o o o 1 3 o o o 