data_Mo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   131.17
_cell_angle_beta   112.88
_cell_angle_gamma   87.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Ru
_chemical_formula_sum   'Mo2 Ru1'
_cell_volume   52.19
_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
  Mo  Mo0  1  0.77  0.0  0.82  1.0
  Mo  Mo1  1  0.0  0.37  0.28  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Mo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   67.12
_cell_angle_beta   65.59
_cell_angle_gamma   65.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Ru
_chemical_formula_sum   'Mo2 Ru1'
_cell_volume   52.19
_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
  Mo  Mo0  1  0.05  0.77  0.18  1.0
  Mo  Mo1  1  0.28  -0.0  0.09  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

Mo Mo Ru