data_[V8Si4Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1778]
_cell_length_b [12.5476]
_cell_length_c [6.0747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [V2SiRu3]
_chemical_formula_sum '[V8 Si4 Ru12]'
_cell_volume [318.4435]
_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
[
  V  V0  4  0.0000  0.3330  0.5000  1
  V  V1  2  0.0000  0.0000  0.0000  1
  V  V2  2  0.0000  0.0000  0.5000  1
  Si  Si3  4  0.0000  0.3375  0.0000  1
  Ru  Ru4  8  0.0000  0.1693  0.2362  1
  Ru  Ru5  4  0.0000  0.5000  0.2427  1
]