data_In2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   6.93
_cell_angle_alpha   34.54
_cell_angle_beta   34.54
_cell_angle_gamma   34.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AsAu
_chemical_formula_sum   'In2 As1 Au1'
_cell_volume   95.3
_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  In2  1  0.0  0.0  0.89  1.0
  In  In3  1  0.0  0.0  0.63  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.76  1.0

data_In2AsAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.12
_cell_length_b   4.11
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   110.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2AsAu
_chemical_formula_sum   'In4 As2 Au2'
_cell_volume   190.61
_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
  In  In0  2  0.0  0.0  0.11  1.0
  In  In1  2  0.0  0.0  0.37  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.24  1.0

In In As Au