data_AlP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.89
_cell_angle_alpha   105.18
_cell_angle_beta   105.18
_cell_angle_gamma   48.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlP2Ru
_chemical_formula_sum   'Al1 P2 Ru1'
_cell_volume   60.27
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.53  0.0  0.1  1.0
  P  P2  1  0.7  0.0  0.55  1.0
  Ru  Ru3  1  0.62  0.0  0.82  1.0

data_AlP2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.79
_cell_length_c   5.89
_cell_angle_alpha   105.18
_cell_angle_beta   90.0
_cell_angle_gamma   114.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlP2Ru
_chemical_formula_sum   'Al1 P2 Ru1'
_cell_volume   60.27
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.3  0.45  1.0
  P  P2  1  0.0  0.47  0.9  1.0
  Ru  Ru3  1  0.0  0.38  0.18  1.0

Al P P Ru
Al P P Ru 0 3 - o - 0 1 o o o 0 1 - o o 1 3 o o - 2 3 o o o 