data_As2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   2.97
_cell_angle_alpha   102.87
_cell_angle_beta   102.87
_cell_angle_gamma   27.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2Ru
_chemical_formula_sum   'As2 Ru1'
_cell_volume   52.86
_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  0.36  0.0  0.81  1.0
  As  As1  1  0.26  0.0  0.08  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_As2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   6.33
_cell_angle_alpha   102.87
_cell_angle_beta   103.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2Ru
_chemical_formula_sum   'As2 Ru1'
_cell_volume   52.86
_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  0.08  0.26  1.0
  As  As1  1  0.0  0.81  0.36  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

As As Ru
As As Ru 0 1 o o + 1 2 o o o 