data_ScRhAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   142.85
_cell_angle_beta   142.85
_cell_angle_gamma   53.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRhAu
_chemical_formula_sum   'Sc1 Rh1 Au1'
_cell_volume   52.56
_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  Sc2  1  0.0  0.0  0.36  1.0
  Rh  Rh1  1  0.0  0.0  0.01  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0

data_ScRhAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   116.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScRhAu
_chemical_formula_sum   'Sc2 Rh2 Au2'
_cell_volume   105.13
_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
  Sc  Sc0  2  0.36  0.0  0.36  1.0
  Rh  Rh1  2  0.01  0.0  0.01  1.0
  Au  Au2  2  0.01  0.0  0.01  1.0
