data_MoRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRu5
_chemical_formula_sum   'Mo1 Ru5'
_cell_volume   94.12
_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  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.25  0.16  0.18  1.0
  Ru  Ru2  1  0.5  0.44  0.0  1.0
  Ru  Ru3  1  0.75  0.16  0.18  1.0
  Ru  Ru4  1  0.5  0.0  0.18  1.0
  Ru  Ru5  1  0.0  0.88  0.0  1.0

data_MoRu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRu5
_chemical_formula_sum   'Mo1 Ru5'
_cell_volume   94.12
_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  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.88  1.0
  Ru  Ru2  1  0.0  0.5  0.44  1.0
  Ru  Ru3  1  0.18  0.25  0.16  1.0
  Ru  Ru4  1  0.18  0.5  0.0  1.0
  Ru  Ru5  1  0.18  0.75  0.16  1.0

Mo Ru Ru Ru Ru Ru