data_AlAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.76
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   94.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs2Au
_chemical_formula_sum   'Al1 As2 Au1'
_cell_volume   76.23
_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  0.17  0.0  0.0  1.0
  As  As1  1  0.48  0.88  0.07  1.0
  As  As2  1  0.91  0.0  0.41  1.0
  Au  Au3  1  0.61  0.88  0.37  1.0

data_AlAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.76
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   94.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs2Au
_chemical_formula_sum   'Al1 As2 Au1'
_cell_volume   76.23
_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  0.17  0.0  0.0  1.0
  As  As1  1  0.48  0.88  0.07  1.0
  As  As2  1  0.91  0.0  0.41  1.0
  Au  Au3  1  0.61  0.88  0.37  1.0

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