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 [Cm]
_cell_length_a [10.0179]
_cell_length_b [2.7564]
_cell_length_c [6.5159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoRu2]
_chemical_formula_sum '[Mo4 Ru8]'
_cell_volume [174.4293]
_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  2  0.1710  0.5000  0.3365  1.0
  Mo  Mo1  2  0.4972  0.5000  0.9939  1.0
  Ru  Ru2  2  0.0542  0.0000  0.6121  1.0
  Ru  Ru3  2  0.2224  0.5000  0.9432  1.0
  Ru  Ru4  2  0.3323  0.0000  0.6681  1.0
  Ru  Ru5  2  0.3895  0.0000  0.2795  1.0
]