data_As2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   43.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuRh
_chemical_formula_sum   'As2 Ru1 Rh1'
_cell_volume   69.32
_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  0.32  0.0  0.96  1.0
  As  As1  1  0.0  0.0  0.34  1.0
  Ru  Ru3  1  0.0  0.0  0.97  1.0
  Rh  Rh2  1  0.32  0.0  0.33  1.0

data_As2RuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.64
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2RuRh
_chemical_formula_sum   'As2 Ru1 Rh1'
_cell_volume   69.32
_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  0.34  0.34  0.0  1.0
  As  As1  1  0.96  0.96  0.68  1.0
  Ru  Ru2  1  0.97  0.97  0.0  1.0
  Rh  Rh3  1  0.33  0.33  0.68  1.0

As As Ru Rh
As As Ru Rh 0 2 o o o 0 3 o o + 1 3 o o o 1 2 o o - 