data_SrIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   132.84
_cell_angle_beta   132.84
_cell_angle_gamma   68.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2Au
_chemical_formula_sum   'Sr1 In2 Au1'
_cell_volume   109.29
_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  0.0  0.37  0.44  1.0
  In  In2  1  0.37  0.0  0.44  1.0
  Au  Au0  1  0.0  0.0  0.88  1.0

data_SrIn2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   124.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrIn2Au
_chemical_formula_sum   'Sr2 In4 Au2'
_cell_volume   218.58
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  In  In1  4  0.32  0.32  0.07  1.0
  Au  Au2  2  0.0  0.0  0.88  1.0

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