data_InReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.75
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReAu2
_chemical_formula_sum   'In1 Re1 Au2'
_cell_volume   71.32
_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  0.35  1.0
  Re  Re3  1  0.45  0.37  0.49  1.0
  Au  Au0  1  0.45  0.0  0.01  1.0
  Au  Au1  1  0.0  0.37  0.13  1.0

data_InReAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.75
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReAu2
_chemical_formula_sum   'In1 Re1 Au2'
_cell_volume   71.32
_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  0.35  1.0
  Re  Re1  1  0.45  0.37  0.49  1.0
  Au  Au2  1  0.0  0.37  0.13  1.0
  Au  Au3  1  0.45  0.0  0.01  1.0

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