data_Cr2InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.18
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InAu
_chemical_formula_sum   'Cr2 In1 Au1'
_cell_volume   67.76
_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
  Cr  Cr1  1  0.48  0.09  0.71  1.0
  Cr  Cr2  1  0.48  0.09  0.75  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.73  1.0

data_Cr2InAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.18
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InAu
_chemical_formula_sum   'Cr2 In1 Au1'
_cell_volume   67.76
_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
  Cr  Cr0  1  0.48  0.09  0.71  1.0
  Cr  Cr1  1  0.48  0.09  0.75  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.73  1.0

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