data_[V4H4Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7138]
_cell_length_b [5.5213]
_cell_length_c [4.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VHRu3]
_chemical_formula_sum '[V4 H4 Ru12]'
_cell_volume [229.1538]
_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  2  0.0856  0.5000  0.9221  1
  V  V1  2  0.3443  0.5000  0.5949  1
  Ru  Ru2  4  0.0958  0.2559  0.4332  1
  Ru  Ru3  4  0.3426  0.2513  0.0676  1
  Ru  Ru4  2  0.0927  0.0000  0.9037  1
  H  H5  2  0.2275  0.0000  0.2498  1
  Ru  Ru6  2  0.3477  0.0000  0.5948  1
  H  H7  2  0.4601  0.5000  0.2498  1
]