data_[Zn4Ni12H4]
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]
_cell_length_a [8.7335]
_cell_length_b [5.2057]
_cell_length_c [4.3723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ZnNi3H]
_chemical_formula_sum '[Zn4 Ni12 H4]'
_cell_volume [191.1826]
_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
[
  Zn  Zn0  4  0.1339  0.4035  0.2652  1.0
  Ni  Ni1  4  0.1228  0.6452  0.7565  1.0
  Ni  Ni2  4  0.1228  0.1496  0.7575  1.0
  Ni  Ni3  4  0.1326  0.8918  0.2526  1.0
  H  H4  2  0.0000  0.0709  0.0000  1.0
  H  H5  2  0.0000  0.8901  0.5000  1.0
]