data_Au3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   136.3
_cell_angle_beta   133.5
_cell_angle_gamma   65.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au3Se
_chemical_formula_sum   'Au3 Se1'
_cell_volume   75.25
_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  0.11  0.31  1.0
  Au  Au1  1  0.99  0.0  0.18  1.0
  Au  Au2  1  0.0  0.0  0.49  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Au3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.22
_cell_length_c   5.34
_cell_angle_alpha   113.25
_cell_angle_beta   111.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au3Se
_chemical_formula_sum   'Au3 Se1'
_cell_volume   75.25
_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  0.51  0.51  0.51  1.0
  Au  Au1  1  0.69  0.8  0.8  1.0
  Au  Au2  1  0.81  0.82  0.81  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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