data_Zr3Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   96.92
_cell_angle_beta   96.92
_cell_angle_gamma   139.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ru5
_chemical_formula_sum   'Zr6 Ru10'
_cell_volume   272.26
_cell_formula_units_Z   2
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  Zr10  1  0.24  0.83  0.0  1.0
  Zr  Zr11  1  0.0  0.0  0.33  1.0
  Zr  Zr12  1  0.24  0.17  0.65  1.0
  Zr  Zr13  1  0.83  0.89  0.0  1.0
  Zr  Zr14  1  0.0  0.0  0.98  1.0
  Zr  Zr15  1  0.83  0.24  0.65  1.0
  Ru  Ru0  1  0.66  0.66  0.0  1.0
  Ru  Ru1  1  0.66  0.47  0.0  1.0
  Ru  Ru2  1  0.07  0.0  0.33  1.0
  Ru  Ru3  1  0.72  0.59  0.0  1.0
  Ru  Ru4  1  0.59  0.41  0.0  1.0
  Ru  Ru5  1  0.47  0.66  0.65  1.0
  Ru  Ru6  1  0.34  0.47  0.65  1.0
  Ru  Ru7  1  0.0  0.07  0.33  1.0
  Ru  Ru8  1  0.41  0.59  0.65  1.0
  Ru  Ru9  1  0.41  0.41  0.65  1.0

data_Zr3Ru5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   83.08
_cell_angle_beta   69.68
_cell_angle_gamma   69.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ru5
_chemical_formula_sum   'Zr6 Ru10'
_cell_volume   272.26
_cell_formula_units_Z   2
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  0.02  0.98  0.0  1.0
  Zr  Zr1  1  0.52  0.65  0.07  1.0
  Zr  Zr2  1  0.59  0.65  0.59  1.0
  Zr  Zr3  1  0.67  0.33  0.0  1.0
  Zr  Zr4  1  0.83  0.0  0.41  1.0
  Zr  Zr5  1  0.89  0.0  0.93  1.0
  Ru  Ru6  1  0.0  0.65  0.82  1.0
  Ru  Ru7  1  0.41  0.0  0.18  1.0
  Ru  Ru8  1  0.47  0.0  0.18  1.0
  Ru  Ru9  1  0.59  0.0  0.13  1.0
  Ru  Ru10  1  0.66  0.0  0.0  1.0
  Ru  Ru11  1  0.67  0.33  0.07  1.0
  Ru  Ru12  1  0.74  0.33  0.93  1.0
  Ru  Ru13  1  0.76  0.65  1.0  1.0
  Ru  Ru14  1  0.82  0.65  0.87  1.0
  Ru  Ru15  1  0.94  0.65  0.82  1.0

Zr Zr Zr Zr Zr Zr Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru