data_As3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3Ru
_chemical_formula_sum   'As3 Ru1'
_cell_volume   70.81
_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  0.5  0.0  0.69  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.5  0.0  0.75  1.0
  Ru  Ru3  1  0.0  0.0  0.72  1.0

data_As3Ru
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.91
_cell_length_b   5.15
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   As3Ru
_chemical_formula_sum   'As6 Ru2'
_cell_volume   141.72
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  1.0
  As  As1  2  0.0  0.5  0.69  1.0
  As  As2  2  0.0  0.5  0.75  1.0
  Ru  Ru3  2  0.0  0.0  0.72  1.0

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