data_[Zn2Ni6H2]
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 [P2_1/m]
_cell_length_a [4.2022]
_cell_length_b [5.0535]
_cell_length_c [4.4868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnNi3H]
_chemical_formula_sum '[Zn2 Ni6 H2]'
_cell_volume [95.2306]
_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  2  0.2413  0.7500  0.3490  1.0
  Ni  Ni1  4  0.2470  0.5025  0.8398  1.0
  Ni  Ni2  2  0.2445  0.2500  0.3425  1.0
  H  H3  2  0.4601  0.2500  0.0368  1.0
]