data_As2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   126.79
_cell_angle_beta   126.79
_cell_angle_gamma   78.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuAu
_chemical_formula_sum   'As2 Ru1 Au1'
_cell_volume   66.84
_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
  As  As0  1  0.13  0.0  0.84  1.0
  As  As1  1  0.0  0.13  0.84  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.0  0.68  1.0

data_As2RuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   129.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As2RuAu
_chemical_formula_sum   'As4 Ru2 Au2'
_cell_volume   133.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  As  As0  4  0.22  0.07  0.29  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.32  0.0  0.32  1.0

As As Ru Au