data_Cr2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.31
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdAu
_chemical_formula_sum   'Cr2 Cd1 Au1'
_cell_volume   67.29
_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
  Cr  Cr2  1  0.38  0.15  0.74  1.0
  Cr  Cr3  1  0.4  0.15  0.64  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.94  0.0  0.69  1.0

data_Cr2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.31
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdAu
_chemical_formula_sum   'Cr2 Cd1 Au1'
_cell_volume   67.29
_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
  Cr  Cr0  1  0.38  0.15  0.74  1.0
  Cr  Cr1  1  0.4  0.15  0.64  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.94  0.0  0.69  1.0

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