data_AsRuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   147.68
_cell_angle_beta   147.68
_cell_angle_gamma   46.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsRuAu
_chemical_formula_sum   'As1 Ru1 Au1'
_cell_volume   49.79
_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  0.0  0.0  0.01  1.0
  Ru  Ru2  1  0.0  0.0  0.7  1.0
  Au  Au1  1  0.0  0.0  0.85  1.0

data_AsRuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   113.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsRuAu
_chemical_formula_sum   'As2 Ru2 Au2'
_cell_volume   99.57
_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  2  0.0  0.0  0.99  1.0
  Ru  Ru1  2  0.0  0.0  0.3  1.0
  Au  Au2  2  0.0  0.0  0.15  1.0

As Ru Au
As Ru Au 0 2 o o - 1 2 o o o 