data_InAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.99
_cell_angle_alpha   118.12
_cell_angle_beta   118.12
_cell_angle_gamma   43.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAu2Cl
_chemical_formula_sum   'In1 Au2 Cl1'
_cell_volume   101.48
_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  0.14  0.0  0.99  1.0
  Au  Au0  1  0.57  0.0  0.02  1.0
  Au  Au1  1  0.38  0.0  0.97  1.0
  Cl  Cl2  1  0.96  0.0  0.08  1.0

data_InAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.94
_cell_length_c   6.38
_cell_angle_alpha   75.04
_cell_angle_beta   73.26
_cell_angle_gamma   68.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAu2Cl
_chemical_formula_sum   'In1 Au2 Cl1'
_cell_volume   101.48
_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  0.15  0.99  1.0
  Au  Au1  1  0.0  0.42  0.97  1.0
  Au  Au2  1  0.0  0.55  0.02  1.0
  Cl  Cl3  1  0.0  0.89  0.08  1.0

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