data_[V16H4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.5394]
_cell_length_b [6.5394]
_cell_length_c [5.9672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [V4HC]
_chemical_formula_sum '[V16 H4 C4]'
_cell_volume [255.1839]
_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  8  0.0000  0.2729  0.9885  1.0
  V  V1  8  0.0000  0.2950  0.4988  1.0
  H  H2  4  0.0000  0.0000  0.0184  1.0
  C  C3  4  0.0000  0.0000  0.5069  1.0
]