data_Mo3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   13.66
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3Ru
_chemical_formula_sum   'Mo18 Ru6'
_cell_volume   372.51
_cell_formula_units_Z   6
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
  Mo  Mo0  1  0.37  0.39  0.05  1.0
  Mo  Mo1  1  0.37  0.27  0.05  1.0
  Mo  Mo2  1  0.4  0.83  0.23  1.0
  Mo  Mo3  1  0.38  0.0  0.68  1.0
  Mo  Mo4  1  0.41  0.22  0.86  1.0
  Mo  Mo5  1  0.41  0.44  0.86  1.0
  Mo  Mo6  1  0.0  0.0  0.27  1.0
  Mo  Mo7  1  0.0  0.9  0.33  1.0
  Mo  Mo8  1  0.0  0.76  0.33  1.0
  Mo  Mo9  1  0.19  0.39  0.05  1.0
  Mo  Mo10  1  0.19  0.27  0.05  1.0
  Mo  Mo11  1  0.16  0.83  0.23  1.0
  Mo  Mo12  1  0.18  0.0  0.68  1.0
  Mo  Mo13  1  0.15  0.22  0.86  1.0
  Mo  Mo14  1  0.15  0.44  0.86  1.0
  Mo  Mo15  1  0.78  0.83  0.64  1.0
  Mo  Mo16  1  0.78  0.07  0.58  1.0
  Mo  Mo17  1  0.78  0.59  0.58  1.0
  Ru  Ru18  1  0.0  0.83  0.84  1.0
  Ru  Ru19  1  0.0  0.29  0.65  1.0
  Ru  Ru20  1  0.0  0.37  0.65  1.0
  Ru  Ru21  1  0.78  0.0  0.07  1.0
  Ru  Ru22  1  0.78  0.12  0.26  1.0
  Ru  Ru23  1  0.78  0.54  0.26  1.0

data_Mo3Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   5.56
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3Ru
_chemical_formula_sum   'Mo18 Ru6'
_cell_volume   372.51
_cell_formula_units_Z   6
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
  Mo  Mo0  1  0.05  0.19  0.27  1.0
  Mo  Mo1  1  0.05  0.19  0.39  1.0
  Mo  Mo2  1  0.05  0.37  0.27  1.0
  Mo  Mo3  1  0.05  0.37  0.39  1.0
  Mo  Mo4  1  0.23  0.16  0.83  1.0
  Mo  Mo5  1  0.23  0.4  0.83  1.0
  Mo  Mo6  1  0.27  0.0  0.0  1.0
  Mo  Mo7  1  0.33  0.0  0.76  1.0
  Mo  Mo8  1  0.33  0.0  0.9  1.0
  Mo  Mo9  1  0.58  0.78  0.07  1.0
  Mo  Mo10  1  0.58  0.78  0.59  1.0
  Mo  Mo11  1  0.64  0.78  0.83  1.0
  Mo  Mo12  1  0.68  0.18  0.0  1.0
  Mo  Mo13  1  0.68  0.38  0.0  1.0
  Mo  Mo14  1  0.86  0.15  0.22  1.0
  Mo  Mo15  1  0.86  0.15  0.44  1.0
  Mo  Mo16  1  0.86  0.41  0.22  1.0
  Mo  Mo17  1  0.86  0.41  0.44  1.0
  Ru  Ru18  1  0.07  0.78  0.0  1.0
  Ru  Ru19  1  0.26  0.78  0.12  1.0
  Ru  Ru20  1  0.26  0.78  0.54  1.0
  Ru  Ru21  1  0.65  0.0  0.29  1.0
  Ru  Ru22  1  0.65  0.0  0.37  1.0
  Ru  Ru23  1  0.84  0.0  0.83  1.0

Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Ru Ru Ru Ru Ru Ru