data_[Si6Mo2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.1374]
_cell_length_b [9.5761]
_cell_length_c [5.7103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Si3MoRu2]
_chemical_formula_sum '[Si6 Mo2 Ru4]'
_cell_volume [171.5579]
_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
[
  Si  Si0  2  0.0000  0.3711  0.1766  1
  Si  Si1  2  0.5000  0.0611  0.3174  1
  Si  Si2  2  0.5000  0.2988  0.8187  1
  Mo  Mo3  2  0.0000  0.1118  0.9901  1
  Ru  Ru4  2  0.0000  0.2135  0.5086  1
  Ru  Ru5  2  0.5000  0.4652  0.4873  1
]