data_InAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAs2Au
_chemical_formula_sum   'In1 As2 Au1'
_cell_volume   82.8
_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
  In  In3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.54  0.18  0.54  1.0
  As  As1  1  0.54  0.82  0.54  1.0
  Au  Au2  1  0.08  0.0  0.0  1.0

data_InAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   109.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAs2Au
_chemical_formula_sum   'In1 As2 Au1'
_cell_volume   82.8
_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
  In  In0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.54  0.54  0.18  1.0
  As  As2  1  0.54  0.54  0.82  1.0
  Au  Au3  1  0.0  0.08  0.0  1.0

In As As Au