data_SrIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   5.51
_cell_angle_alpha   114.95
_cell_angle_beta   114.95
_cell_angle_gamma   34.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Au
_chemical_formula_sum   'Sr1 In2 Au1'
_cell_volume   109.45
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.62  0.0  0.43  1.0
  In  In2  1  0.8  0.0  0.51  1.0
  Au  Au0  1  0.71  0.0  0.47  1.0

data_SrIn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.51
_cell_length_c   6.22
_cell_angle_alpha   114.95
_cell_angle_beta   107.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Au
_chemical_formula_sum   'Sr1 In2 Au1'
_cell_volume   109.45
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.43  0.62  1.0
  In  In2  1  0.0  0.51  0.8  1.0
  Au  Au3  1  0.0  0.47  0.71  1.0

Sr In In Au
Sr In In Au 0 3 - o - 0 2 - o - 0 1 - o - 1 3 o o o 2 3 o o o 