data_AuSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AuSe5
_chemical_formula_sum   'Au1 Se5'
_cell_volume   136.75
_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
  Au  Au0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.9  0.67  0.0  1.0
  Se  Se2  1  0.0  0.35  0.0  1.0
  Se  Se3  1  0.55  0.51  0.35  1.0
  Se  Se4  1  0.45  0.51  0.35  1.0
  Se  Se5  1  0.9  0.0  0.35  1.0

data_AuSe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AuSe5
_chemical_formula_sum   'Au1 Se5'
_cell_volume   136.75
_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
  Au  Au0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.35  1.0
  Se  Se2  1  0.0  0.9  0.67  1.0
  Se  Se3  1  0.35  0.45  0.51  1.0
  Se  Se4  1  0.35  0.55  0.51  1.0
  Se  Se5  1  0.35  0.9  0.0  1.0

Au Se Se Se Se Se
Au Se Se Se Se Se 0 5 - o o 0 1 - - o 0 2 o o o 1 2 + o o 2 5 - o o 3 4 o o o 