data_[Si4Ni20H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8777]
_cell_length_b [6.2061]
_cell_length_c [6.7816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SiNi5H]
_chemical_formula_sum '[Si4 Ni20 H4]'
_cell_volume [312.3341]
_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
[
  Si  Si0  4  0.0000  0.3858  0.2500  1
  Ni  Ni1  8  0.0391  0.3061  0.9580  1
  Ni  Ni2  8  0.2418  0.0178  0.1796  1
  Ni  Ni3  4  0.0000  0.0311  0.2500  1
  H  H4  4  0.0000  0.0000  0.0000  1
]