data_SbAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAu2Se
_chemical_formula_sum   'Sb1 Au2 Se1'
_cell_volume   86.53
_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
  Sb  Sb2  1  0.84  0.0  0.0  1.0
  Au  Au0  1  0.42  0.98  0.93  1.0
  Au  Au1  1  0.42  0.02  0.93  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_SbAu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   108.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAu2Se
_chemical_formula_sum   'Sb1 Au2 Se1'
_cell_volume   86.53
_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
  Sb  Sb0  1  0.0  0.84  0.0  1.0
  Au  Au1  1  0.93  0.42  0.02  1.0
  Au  Au2  1  0.93  0.42  0.98  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sb Au Au Se