data_[V1H4Ru3]
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 [Pm-3m]
_cell_length_a [3.9800]
_cell_length_b [3.9800]
_cell_length_c [3.9800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [VH4Ru3]
_chemical_formula_sum '[V1 H4 Ru3]'
_cell_volume [63.0452]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  H  H1  3  0.0000  0.0000  0.5000  1
  Ru  Ru2  3  0.0000  0.5000  0.5000  1
  H  H3  1  0.5000  0.5000  0.5000  1
]