data_AlSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.32
_cell_angle_alpha   107.18
_cell_angle_beta   107.18
_cell_angle_gamma   52.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb2Au
_chemical_formula_sum   'Al1 Sb2 Au1'
_cell_volume   96.24
_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
  Al  Al0  1  0.02  0.0  0.66  1.0
  Sb  Sb2  1  0.81  0.0  0.34  1.0
  Sb  Sb3  1  0.72  0.0  0.17  1.0
  Au  Au1  1  0.46  0.0  0.77  1.0

data_AlSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.5
_cell_length_c   6.32
_cell_angle_alpha   107.18
_cell_angle_beta   90.0
_cell_angle_gamma   116.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb2Au
_chemical_formula_sum   'Al1 Sb2 Au1'
_cell_volume   96.24
_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
  Al  Al0  1  0.0  0.98  0.34  1.0
  Sb  Sb1  1  0.0  0.19  0.66  1.0
  Sb  Sb2  1  0.0  0.28  0.83  1.0
  Au  Au3  1  0.0  0.54  0.23  1.0

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