data_SiAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   29.43
_cell_angle_beta   29.43
_cell_angle_gamma   29.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAu2Se
_chemical_formula_sum   'Si1 Au2 Se1'
_cell_volume   76.27
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.09  1.0
  Au  Au1  1  0.0  0.0  0.25  1.0
  Se  Se2  1  0.0  0.0  0.17  1.0

data_SiAu2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   3.6
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiAu2Se
_chemical_formula_sum   'Si2 Au4 Se2'
_cell_volume   152.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Au  Au1  2  0.0  0.0  0.75  1.0
  Au  Au2  2  0.0  0.0  0.91  1.0
  Se  Se3  2  0.0  0.0  0.83  1.0

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