data_ZrAl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.79
_cell_angle_alpha   105.59
_cell_angle_beta   105.59
_cell_angle_gamma   37.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Ru
_chemical_formula_sum   'Zr1 Al2 Ru1'
_cell_volume   67.78
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.19  0.0  0.28  1.0
  Al  Al1  1  0.83  0.0  0.31  1.0
  Ru  Ru2  1  0.01  0.0  0.29  1.0

data_ZrAl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.79
_cell_length_c   4.95
_cell_angle_alpha   105.59
_cell_angle_beta   108.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Ru
_chemical_formula_sum   'Zr1 Al2 Ru1'
_cell_volume   67.78
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.28  0.19  1.0
  Al  Al2  1  0.0  0.31  0.83  1.0
  Ru  Ru3  1  0.0  0.29  0.01  1.0

Zr Al Al Ru
Zr Al Al Ru 0 3 o o o 0 1 o o o 1 3 o o o 2 3 + o o 