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/m]
_cell_length_a [7.3706]
_cell_length_b [5.0787]
_cell_length_c [6.2576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnNi3H]
_chemical_formula_sum '[Zn4 Ni12 H4]'
_cell_volume [191.2841]
_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  0.1404  0.0000  0.2610  1.0
  Ni  Ni1  4  0.0000  0.2510  0.5000  1.0
  Ni  Ni2  4  0.1138  0.5000  0.2440  1.0
  Ni  Ni3  4  0.2500  0.2500  0.0000  1.0
  H  H4  4  0.1575  0.0000  0.7500  1.0
]