data_SbAs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAs2Ru
_chemical_formula_sum   'Sb1 As2 Ru1'
_cell_volume   77.66
_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
  Sb  Sb3  1  0.0  0.0  0.16  1.0
  As  As0  1  0.53  0.53  0.79  1.0
  As  As1  1  0.53  0.53  0.53  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_SbAs2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbAs2Ru
_chemical_formula_sum   'Sb2 As4 Ru2'
_cell_volume   155.32
_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
  Sb  Sb0  2  0.0  0.0  0.16  1.0
  As  As1  2  0.03  0.5  0.53  1.0
  As  As2  2  0.03  0.5  0.79  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

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