data_[V16Si4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1604]
_cell_length_b [9.4474]
_cell_length_c [9.5623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [V4SiH2]
_chemical_formula_sum '[V16 Si4 H8]'
_cell_volume [285.5032]
_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  0.2060  0.5971  1.0
  V  V1  4  0.0000  0.1174  0.2500  1.0
  V  V2  4  0.0000  0.5000  0.0000  1.0
  Si  Si3  4  0.0000  0.4100  0.2500  1.0
  H  H4  8  0.0000  0.1004  0.0578  1.0
]