data_[Zn4Ni16H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9102]
_cell_length_b [3.6207]
_cell_length_c [5.0556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Ni8H]
_chemical_formula_sum '[Zn4 Ni16 H2]'
_cell_volume [230.8684]
_cell_formula_units_Z [2]
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
[
  Zn  Zn0  4  0.1970  0.5000  0.6074  1
  Ni  Ni1  4  0.0996  0.0000  0.8032  1
  Ni  Ni2  4  0.1002  0.0000  0.3049  1
  Ni  Ni3  4  0.2000  0.5000  0.1019  1
  Ni  Ni4  2  0.0000  0.5000  0.0000  1
  Ni  Ni5  2  0.0000  0.5000  0.5000  1
  H  H6  2  0.0000  0.0000  0.0000  1
]