data_InGe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Au
_chemical_formula_sum   'In1 Ge2 Au1'
_cell_volume   83.08
_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
  Ge  Ge1  1  0.45  0.88  0.69  1.0
  Ge  Ge2  1  0.45  0.12  0.69  1.0
  Au  Au0  1  0.91  0.0  0.0  1.0

data_InGe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   111.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe2Au
_chemical_formula_sum   'In1 Ge2 Au1'
_cell_volume   83.08
_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
  Ge  Ge1  1  0.69  0.45  0.12  1.0
  Ge  Ge2  1  0.69  0.45  0.88  1.0
  Au  Au3  1  0.0  0.91  0.0  1.0

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