data_[V13H2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0300]
_cell_length_b [6.5959]
_cell_length_c [6.6116]
_cell_angle_alpha [61.7205]
_cell_angle_beta [69.2050]
_cell_angle_gamma [77.8777]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V13H2]
_chemical_formula_sum '[V13 H2]'
_cell_volume [180.3600]
_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  2  0.0746  0.1558  0.5383  1.0
  V  V1  2  0.1685  0.3085  0.0800  1.0
  V  V2  2  0.2328  0.4624  0.6133  1.0
  V  V3  2  0.3174  0.6060  0.1664  1.0
  V  V4  2  0.3936  0.7718  0.6783  1.0
  V  V5  2  0.4624  0.9216  0.2303  1.0
  V  V6  1  0.0000  0.0000  0.0000  1.0
  H  H7  2  0.1328  0.7517  0.9515  1.0
]