data_SbMoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   146.11
_cell_angle_beta   135.21
_cell_angle_gamma   57.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoAu
_chemical_formula_sum   'Sb1 Mo1 Au1'
_cell_volume   57.45
_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  0.0  0.0  0.05  1.0
  Mo  Mo1  1  0.0  0.0  0.14  1.0
  Au  Au0  1  0.0  0.0  0.08  1.0

data_SbMoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.03
_cell_length_c   5.28
_cell_angle_alpha   112.39
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMoAu
_chemical_formula_sum   'Sb1 Mo1 Au1'
_cell_volume   57.45
_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  0.05  0.05  1.0
  Mo  Mo1  1  0.0  0.14  0.14  1.0
  Au  Au2  1  0.0  0.08  0.08  1.0

Sb Mo Au
Sb Mo Au 0 2 o o o 1 2 o o o 