data_[Mo4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0425]
_cell_length_b [2.7586]
_cell_length_c [6.5135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoRu2]
_chemical_formula_sum '[Mo4 Ru8]'
_cell_volume [174.9805]
_cell_formula_units_Z [4]
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  4  0.0324  0.0000  0.7990  1.0
  Ru  Ru1  4  0.1428  0.5000  0.5248  1.0
  Ru  Ru2  4  0.1952  0.5000  0.1350  1.0
]