data_ScSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   147.36
_cell_angle_beta   147.36
_cell_angle_gamma   46.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbAu
_chemical_formula_sum   'Sc1 Sb1 Au1'
_cell_volume   66.52
_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  Sc2  1  0.0  0.0  0.3  1.0
  Sb  Sb1  1  0.0  0.0  0.75  1.0
  Au  Au0  1  0.0  0.0  0.19  1.0

data_ScSbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   113.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSbAu
_chemical_formula_sum   'Sc2 Sb2 Au2'
_cell_volume   133.04
_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  0.0  0.0  0.7  1.0
  Sb  Sb1  2  0.0  0.0  0.25  1.0
  Au  Au2  2  0.0  0.0  0.81  1.0

Sc Sb Au
Sc Sb Au 0 2 o o o 0 1 o o o 0 1 o o - 1 1 + o + 1 1 o + + 1 2 o o o 1 2 o o + 