data_In2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   22.79
_cell_angle_beta   22.79
_cell_angle_gamma   22.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BiAu
_chemical_formula_sum   'In2 Bi1 Au1'
_cell_volume   106.85
_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  0.11  1.0
  In  In3  1  0.0  0.0  0.71  1.0
  Bi  Bi1  1  0.0  0.0  0.56  1.0
  Au  Au0  1  0.0  0.0  0.5  1.0

data_In2BiAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   3.69
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2BiAu
_chemical_formula_sum   'In4 Bi2 Au2'
_cell_volume   213.69
_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  0.29  1.0
  In  In1  2  -0.0  0.0  0.89  1.0
  Bi  Bi2  2  -0.0  0.0  0.44  1.0
  Au  Au3  2  0.0  0.0  0.5  1.0

In In Bi Au
In In Bi Au 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o - 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 