data_MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRu
_chemical_formula_sum   'Mo2 Ru2'
_cell_volume   60.94
_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
  Mo  Mo0  1  0.41  0.65  0.3  1.0
  Mo  Mo1  1  0.41  0.35  0.1  1.0
  Ru  Ru2  1  0.41  0.16  0.3  1.0
  Ru  Ru3  1  0.41  0.84  0.1  1.0

data_MoRu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.82
_cell_length_b   4.41
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MoRu
_chemical_formula_sum   'Mo2 Ru2'
_cell_volume   60.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.35  0.6  0.85  1.0
  Ru  Ru1  2  0.16  0.4  0.66  1.0

Mo Mo Ru Ru
Mo Mo Ru Ru 0 3 o o o 1 2 o o o 