data_[V4H4Ru4]
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 [C2/m]
_cell_length_a [9.9902]
_cell_length_b [2.8018]
_cell_length_c [4.7196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VHRu]
_chemical_formula_sum '[V4 H4 Ru4]'
_cell_volume [117.2956]
_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  0.1121  0.0000  0.2846  1.0
  Ru  Ru1  4  0.1219  0.5000  0.7901  1.0
  H  H2  4  0.2430  0.5000  0.2619  1.0
]