data_CrRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.6
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuAu2
_chemical_formula_sum   'Cr1 Ru1 Au2'
_cell_volume   62.61
_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  0.0  0.0  0.29  1.0
  Ru  Ru3  1  0.42  0.8  0.34  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0
  Au  Au1  1  0.42  0.8  0.65  1.0

data_CrRuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.6
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuAu2
_chemical_formula_sum   'Cr1 Ru1 Au2'
_cell_volume   62.61
_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  0.29  1.0
  Ru  Ru1  1  0.42  0.8  0.34  1.0
  Au  Au2  1  0.0  0.0  0.03  1.0
  Au  Au3  1  0.42  0.8  0.65  1.0

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