data_CrAg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.12
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Au
_chemical_formula_sum   'Cr1 Ag2 Au1'
_cell_volume   65.58
_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  Cr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.37  0.06  0.38  1.0
  Ag  Ag1  1  0.37  0.06  0.43  1.0
  Au  Au2  1  0.0  0.0  0.9  1.0

data_CrAg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.12
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2Au
_chemical_formula_sum   'Cr1 Ag2 Au1'
_cell_volume   65.58
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.37  0.06  0.38  1.0
  Ag  Ag2  1  0.37  0.06  0.43  1.0
  Au  Au3  1  0.0  0.0  0.9  1.0

Cr Ag Ag Au
Cr Ag Ag Au 0 3 o o - 1 2 o o o 