data_Sb2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   60.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PtAu
_chemical_formula_sum   'Sb2 Pt1 Au1'
_cell_volume   99.05
_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  Sb2  1  0.52  0.0  0.13  1.0
  Sb  Sb3  1  0.0  0.0  0.1  1.0
  Pt  Pt1  1  0.0  0.0  0.9  1.0
  Au  Au0  1  0.52  0.0  0.41  1.0

data_Sb2PtAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   8.27
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb2PtAu
_chemical_formula_sum   'Sb4 Pt2 Au2'
_cell_volume   198.1
_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  0.37  0.5  0.48  1.0
  Sb  Sb1  2  0.4  0.5  0.0  1.0
  Pt  Pt2  2  0.1  0.0  0.0  1.0
  Au  Au3  2  0.09  0.5  0.48  1.0

Sb Sb Pt Au
Sb Sb Pt Au 0 3 o o o 1 2 o o - 