data_ScRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.95
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhAu2
_chemical_formula_sum   'Sc1 Rh1 Au2'
_cell_volume   70.16
_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  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.76  1.0
  Au  Au0  1  0.61  0.98  0.4  1.0
  Au  Au1  1  0.61  0.98  0.13  1.0

data_ScRhAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.95
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhAu2
_chemical_formula_sum   'Sc1 Rh1 Au2'
_cell_volume   70.16
_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  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.76  1.0
  Au  Au2  1  0.61  0.98  0.13  1.0
  Au  Au3  1  0.61  0.98  0.4  1.0

Sc Rh Au Au
Sc Rh Au Au 0 3 - - o 0 1 o o - 2 3 o o o 