data_SbPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   134.76
_cell_angle_beta   134.76
_cell_angle_gamma   65.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPtAu2
_chemical_formula_sum   'Sb1 Pt1 Au2'
_cell_volume   75.2
_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  Sb3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.47  1.0
  Au  Au0  1  0.05  0.0  0.24  1.0
  Au  Au1  1  0.0  0.05  0.24  1.0

data_SbPtAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   122.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbPtAu2
_chemical_formula_sum   'Sb2 Pt2 Au4'
_cell_volume   150.4
_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
  Sb  Sb0  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.03  0.5  0.53  1.0
  Au  Au2  4  0.29  0.47  0.81  1.0

Sb Pt Au Au