data_As2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PRu
_chemical_formula_sum   'As2 P1 Ru1'
_cell_volume   67.15
_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  0.28  1.0
  As  As1  1  0.47  0.0  0.75  1.0
  P  P2  1  0.0  0.0  0.25  1.0
  Ru  Ru3  1  0.47  0.0  0.46  1.0

data_As2PRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.89
_cell_length_b   5.07
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As2PRu
_chemical_formula_sum   'As4 P2 Ru2'
_cell_volume   134.32
_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
  As  As0  2  0.0  0.0  0.28  1.0
  As  As1  2  0.47  0.0  0.75  1.0
  P  P2  2  0.0  0.0  0.25  1.0
  Ru  Ru3  2  0.47  0.0  0.46  1.0

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