data_Cr2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.55
_cell_angle_alpha   108.37
_cell_angle_beta   108.37
_cell_angle_gamma   34.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2RuAu
_chemical_formula_sum   'Cr2 Ru1 Au1'
_cell_volume   55.66
_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  0.35  0.0  0.27  1.0
  Cr  Cr2  1  0.4  0.0  0.15  1.0
  Ru  Ru3  1  0.91  0.0  0.38  1.0
  Au  Au0  1  0.4  0.0  0.93  1.0

data_Cr2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.55
_cell_length_c   4.78
_cell_angle_alpha   108.37
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2RuAu
_chemical_formula_sum   'Cr2 Ru1 Au1'
_cell_volume   55.66
_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  0.15  0.4  1.0
  Cr  Cr1  1  0.0  0.27  0.35  1.0
  Ru  Ru2  1  0.0  0.38  0.91  1.0
  Au  Au3  1  0.0  0.93  0.4  1.0

Cr Cr Ru Au