data_ScAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.83
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAsAu2
_chemical_formula_sum   'Sc1 As1 Au2'
_cell_volume   78.52
_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
  Sc  Sc3  1  0.0  0.0  0.12  1.0
  As  As0  1  0.67  0.92  0.3  1.0
  Au  Au1  1  0.0  0.0  0.22  1.0
  Au  Au2  1  0.67  0.92  0.55  1.0

data_ScAsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.83
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAsAu2
_chemical_formula_sum   'Sc1 As1 Au2'
_cell_volume   78.52
_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
  Sc  Sc0  1  0.0  0.0  0.12  1.0
  As  As1  1  0.67  0.92  0.3  1.0
  Au  Au2  1  0.0  0.0  0.22  1.0
  Au  Au3  1  0.67  0.92  0.55  1.0

Sc As Au Au